data_2kiv_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 2kiv _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 ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.881 0.372 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -127.87 134.5 49.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.4 t -50.91 -41.87 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.97 -47.63 85.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.423 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -66.11 -56.76 9.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.2 t90 -52.56 -53.4 46.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.03 -44.91 87.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.39 -32.9 71.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 t -71.79 -55.48 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.9 pt -65.02 -22.24 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.55 -107.97 0.24 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.511 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.8 mt -153.57 158.82 32.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.644 0.735 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 76.84 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -125.41 -36.16 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -101.25 0.77 38.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.45 -46.95 66.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -61.2 -48.35 81.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -57.58 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -54.05 -57.93 9.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.3 ttm -48.24 -58.77 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.47 -22.18 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.52 13.37 15.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.33 -22.16 31.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -80.29 57.4 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -95.62 -20.3 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.54 125.76 54.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.3 -23.16 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -58.92 -23.93 61.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.03 -25.37 61.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.9 ttm -52.11 152.47 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -111.49 157.38 20.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.07 -44.4 78.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -59.15 -39.54 82.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.86 -63.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -31.0 27.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.2 tp -80.66 -32.33 36.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -71.06 -33.76 70.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.7 mt -54.57 -75.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.4 65.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 111.155 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.9 m80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.735 0.302 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.29 -55.93 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -57.79 -39.9 78.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -55.87 -57.24 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.56 -39.12 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.12 -62.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -57.08 -36.44 70.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 -66.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.7 tt -52.57 -28.22 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -81.73 -32.43 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -81.86 -17.16 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.663 0.745 . . . . 0.0 110.91 179.886 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.829 0.347 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t -149.46 178.23 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.83 -35.46 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.85 -73.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -52.93 -32.48 45.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -60.63 -56.91 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 mt -65.93 -28.55 69.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.52 -28.84 63.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -92.39 14.69 15.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.9 mt -131.26 29.84 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 53.12 35.08 18.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.7 mt -144.49 140.81 29.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.81 -42.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -56.11 -33.16 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -52.73 -29.14 25.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.2 m -48.16 -36.99 14.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -63.02 -62.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.65 -50.07 66.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -54.92 -47.39 74.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.62 -61.28 2.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.9 pt -56.02 -23.36 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -76.11 -26.25 56.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.68 12.6 11.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -87.04 97.65 10.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 110.968 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.72 -36.03 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.5 m -111.18 138.06 48.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.1 ttm -51.77 -42.43 62.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -50.16 -39.7 44.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.6 -35.75 72.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.5 -20.08 65.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -99.91 11.39 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -112.38 22.21 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.1 pt -131.24 158.01 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -106.21 177.02 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -50.86 -62.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.8 p -51.47 -44.0 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.203 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -59.24 -35.44 73.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.6 tp -71.4 -50.71 29.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 51.0 mt -70.38 -16.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -94.43 -31.81 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 64.1 t -92.71 -61.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.7 -27.4 63.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.53 42.57 27.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.32 -57.35 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 51.47 46.64 26.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.2 tp -149.31 116.6 6.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 68.0 mt -50.74 -49.21 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.45 -73.92 0.33 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -52.02 -34.83 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -63.5 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -41.12 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -54.42 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 53.7 mt -62.02 -46.68 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.5 tp -51.61 -42.43 61.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.01 -37.89 64.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 p -59.26 -40.1 84.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.3 mt -80.83 -48.5 12.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.537 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.898 0.38 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.23 131.78 54.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.14 -47.18 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.48 -36.71 85.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.91 -52.08 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -62.25 -48.66 78.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.73 -49.26 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.39 -34.99 77.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 t -65.83 -46.99 76.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.1 pt -75.19 -24.74 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.2 -107.02 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.6 mt -154.61 158.42 32.25 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.599 0.714 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 73.47 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -119.52 -23.07 6.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -118.41 16.07 13.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.949 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -63.14 -52.69 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -54.74 -51.37 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.27 -55.57 29.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -60.28 3.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.3 ttt -51.21 -56.77 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.54 -22.86 47.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -93.35 18.62 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.39 -23.71 26.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -77.86 64.88 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -95.9 -21.68 17.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -132.93 128.75 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.1 t -54.96 -25.84 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -59.27 -21.99 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.86 -19.52 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 36.3 mtt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.333 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.4 mtp -51.98 157.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -144.49 177.11 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.49 -40.4 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -52.87 -63.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.9 -45.71 78.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -51.92 -55.74 18.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -22.53 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -76.29 -27.46 56.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.7 mt -81.26 -71.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.58 46.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 111.166 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.6 t60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.798 0.333 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -57.22 -61.03 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -50.16 -47.69 54.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -54.06 -65.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.2 mt -52.58 -41.46 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.59 -54.13 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -59.3 -40.08 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.76 -62.65 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.76 -29.14 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.095 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -76.01 -37.02 58.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -78.34 -22.3 48.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.699 . . . . 0.0 110.917 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.768 0.318 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.7 m -82.91 165.8 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.1 t -51.87 -44.79 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.33 -61.84 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -56.83 -23.89 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -72.98 -63.08 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.44 -24.31 67.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -56.5 -31.73 64.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -93.65 18.52 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.0 mt -133.54 26.02 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.53 21.29 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.0 mt -125.64 125.97 43.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.31 -40.24 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.69 -40.94 63.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -54.01 -30.92 49.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.7 m -50.01 -34.5 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -64.43 -57.87 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.54 88.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -56.82 -46.24 81.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.14 -62.03 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 pt -52.86 -29.11 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -69.35 -33.9 73.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.01 13.73 4.86 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -86.11 98.55 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.93 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.6 p -111.51 -39.53 4.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.1 m -103.5 122.35 44.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 23.3 ttm -51.99 -38.44 56.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -50.13 -36.66 30.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.4 mt -57.61 -38.13 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.5 mt -57.62 -22.72 47.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -68.96 -31.06 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -93.8 19.28 9.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.8 mm -101.65 130.67 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.14 -179.57 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.4 -60.93 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 p -50.76 -42.91 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -64.6 -38.83 92.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -43.73 89.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 37.7 mt -77.38 -21.98 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -87.83 -22.67 24.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 89.6 t -104.79 -60.77 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.87 -41.94 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm 64.3 37.51 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.6 mp -52.15 -49.73 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 55.07 40.85 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 tp -147.3 124.25 11.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 61.6 mt -64.48 -42.65 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.38 -55.96 27.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -64.67 -58.23 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -34.89 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -45.18 60.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -55.97 -49.58 73.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.2 pt -71.23 -38.19 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.05 -49.85 75.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.23 -37.38 72.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 t -62.63 -46.22 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 62.4 mt -71.87 -55.82 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -141.18 132.25 26.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.3 t -55.94 -36.38 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.59 -58.75 12.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -61.89 -51.45 68.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 63.0 t90 -53.61 -61.39 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 tp -51.89 -44.42 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -59.5 -36.23 75.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 t -69.86 -57.52 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.0 pt -60.0 -25.69 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.173 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.85 -104.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.0 mt -155.87 156.95 31.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 72.74 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.729 2.286 . . . . 0.0 112.3 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -124.4 -33.59 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -101.15 -3.63 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.24 -53.21 37.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -50.28 -62.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -41.96 63.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.61 -68.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.5 ptp -55.35 -42.83 74.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.81 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -95.92 19.74 11.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.53 -21.84 36.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -77.87 70.43 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.98 -19.83 13.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -115.39 120.53 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -50.8 -27.78 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -52.34 -41.57 63.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.28 -23.97 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 41.0 mtt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.893 0.378 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.0 tpp -51.24 107.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -107.09 169.84 8.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -57.59 -44.47 85.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -55.22 -39.27 69.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.88 -59.34 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -27.75 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.66 -35.54 20.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.04 -31.92 72.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mt -56.75 -74.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.82 38.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.536 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 mm . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.17 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 mtp85 -51.61 -60.83 2.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -54.58 -48.23 72.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -51.45 -55.92 16.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.3 mt -58.09 -44.22 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.0 -67.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -50.14 -36.34 29.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -55.75 28.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.23 -35.68 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.53 -27.36 60.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 tt -89.58 -16.99 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 179.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.788 0.327 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -78.77 167.02 21.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.1 t -53.46 -39.03 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.96 -65.26 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.56 -45.39 63.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -56.78 -63.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.31 -23.41 48.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.46 -21.65 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -102.67 -14.64 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.4 mm -88.02 8.49 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.79 13.03 9.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.95 179.13 4.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.72 -52.54 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.443 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -50.83 -37.31 42.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -53.27 -30.79 40.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.1 m -46.73 -34.87 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -64.74 -53.36 48.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.16 75.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -57.92 -39.94 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -69.54 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 24.6 pt -51.52 -30.44 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.78 -30.13 45.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.22 49.96 1.51 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -101.55 26.23 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.042 0.449 . . . . 0.0 110.987 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -63.04 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 t -51.54 128.36 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.3 tpt -60.72 -56.31 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -49.49 -29.99 7.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.01 -43.3 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.1 mt -62.79 -27.63 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -96.62 5.2 51.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -103.81 13.56 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.7 pt -125.96 -177.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.66 177.41 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.43 -63.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.809 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.5 p -48.65 -44.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.86 -48.36 73.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.67 -37.56 87.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.0 mt -75.08 -19.73 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.28 -16.73 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.6 t -105.01 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.86 -24.08 28.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.994 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 61.69 49.9 4.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.4 mt -88.16 94.25 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -91.02 -35.1 14.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.11 118.54 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 73.4 mt -51.75 -52.21 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.09 -71.5 0.61 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -51.54 -38.13 52.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -61.37 -72.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.68 -42.48 34.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -54.18 -63.66 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.5 -51.72 69.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.2 tp -50.78 -39.21 51.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.65 -48.13 60.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.035 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -42.48 75.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.77 -55.69 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.899 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.12 136.58 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.4 t -49.85 -40.91 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.27 -42.18 97.18 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.61 -53.92 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -57.39 -45.75 84.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.6 tp -63.38 -48.55 77.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.36 -33.9 71.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.0 t -70.37 -53.63 15.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.7 pt -64.85 -24.76 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.14 -103.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 mt -151.86 159.07 33.64 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 80.38 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.266 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -129.02 -38.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -90.18 -4.98 56.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -52.3 -46.92 66.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -61.78 -50.88 70.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -60.29 4.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -50.04 -56.09 12.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.8 mtp -51.14 -54.15 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.98 -22.35 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -90.64 13.49 15.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.86 -18.65 52.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -81.29 58.35 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -91.35 -21.79 20.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -120.58 125.42 47.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.7 t -51.69 -38.21 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -57.64 -32.58 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.78 -25.95 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.4 mtt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.14 145.27 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -86.67 140.96 29.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -52.06 -41.4 62.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -52.63 -51.36 60.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.21 -49.97 69.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 tp -50.0 -50.74 46.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 tp -70.16 -31.82 69.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -68.27 -30.77 69.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.8 mm -51.71 -59.97 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.92 -13.71 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.553 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.199 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.96 -61.86 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.25 -36.22 81.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -58.83 -62.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.58 -49.29 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.9 -51.48 65.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -56.84 -45.01 82.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.65 -62.83 1.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 tt -52.33 -27.8 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -78.13 -39.52 40.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.0 -5.96 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.71 . . . . 0.0 110.915 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.829 0.347 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -79.94 170.92 15.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.76 -36.23 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.15 -69.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -54.34 -32.88 57.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -61.23 -52.17 65.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.83 -24.6 61.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.15 -27.3 61.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -98.32 18.14 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.8 mt -133.23 7.56 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 69.27 17.98 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.63 143.72 44.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.91 -46.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -51.43 -36.91 45.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -53.87 -28.91 38.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.3 m -49.25 -34.84 16.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.182 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -65.02 -58.81 5.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.13 78.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -56.13 -43.82 78.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.07 -59.91 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.0 pt -57.69 -28.13 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -74.07 -18.94 60.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.35 40.56 6.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -95.87 25.83 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.88 0.372 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.5 p -51.23 -35.22 35.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.95 121.68 40.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.9 ttm -56.47 -24.74 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -49.81 -43.4 48.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mp -59.32 -33.33 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.9 -20.78 65.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -112.1 16.36 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -130.14 24.97 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.7 pt -133.68 151.91 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -107.29 -178.24 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.3 -56.29 19.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.8 p -50.91 -43.52 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -63.01 -40.51 97.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.4 tp -64.1 -41.74 97.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.1 mt -79.82 -19.46 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -91.32 -19.05 23.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 82.3 t -109.51 -57.8 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -85.32 -30.96 23.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.1 mttp 64.64 51.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 56.6 mt -88.59 92.77 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -85.87 -28.01 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.6 tp -60.82 124.07 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 52.2 mt -58.02 -51.9 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -49.96 -70.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -50.03 -40.25 44.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -66.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -53.64 -46.48 70.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -49.87 -63.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.31 -46.57 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.6 mt -51.74 -43.86 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.18 -32.38 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.64 -41.93 99.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.09 -41.39 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -112.96 133.06 55.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.4 t -54.33 -32.51 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.39 -57.96 13.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -44.33 94.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -62.68 -55.79 23.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 tp -58.26 -30.94 66.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -79.67 -28.31 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -80.7 -27.14 37.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.2 pt -97.26 -31.08 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.97 -109.93 0.97 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -152.87 159.63 32.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.554 0.692 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.9 19.68 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.746 2.297 . . . . 0.0 112.325 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -63.12 -16.1 58.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -113.96 -8.94 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -51.59 -58.15 7.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -51.4 -40.33 59.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -58.0 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.76 -60.8 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -52.5 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -24.47 65.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -93.08 18.14 9.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.85 -21.58 35.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.38 72.9 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.53 -23.1 11.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -122.62 125.01 44.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.98 -27.34 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -58.4 -26.82 63.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.13 -25.37 45.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.86 0.362 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ttm -51.87 103.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -88.33 -179.42 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -55.72 -40.63 72.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -51.85 -60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.44 -43.86 93.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tp -50.63 -44.43 57.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 tp -78.75 -29.55 45.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.98 -37.14 85.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.0 mm -61.5 -73.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.04 46.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.776 0.322 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -52.65 48.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -64.92 -31.74 73.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -61.52 -61.65 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.29 -44.58 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.03 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.4 mt -53.8 -65.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -56.29 -37.45 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.34 -71.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 tp -53.21 -27.99 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -74.71 -33.8 62.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.6 mt -91.01 -11.48 38.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.819 0.342 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -112.37 178.97 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.5 t -53.53 -36.39 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.053 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.74 -69.95 0.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -51.66 -34.01 36.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -63.63 -59.3 4.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.68 -34.06 73.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -52.98 -44.35 67.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -64.95 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.1 mt -95.5 30.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 51.45 30.48 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 66.3 mt -130.33 128.88 42.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.32 -46.11 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.542 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.82 -39.04 65.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -50.57 -31.25 15.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.1 m -50.35 -41.04 50.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.185 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -51.11 71.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.06 78.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -55.47 -46.67 76.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -59.75 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.0 pt -57.7 -25.13 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -81.34 -17.7 48.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.23 37.5 5.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.533 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -96.09 34.53 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.96 0.41 . . . . 0.0 110.94 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.48 -67.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.158 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.95 159.11 9.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -99.21 -37.13 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -57.38 -34.95 69.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.7 pp -60.02 -24.83 64.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.4 -18.0 56.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -101.19 20.57 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -28.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.4 pt -81.48 152.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -108.67 178.91 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -62.49 1.6 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.52 -45.47 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -55.28 -43.79 75.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.6 tp -67.94 -36.3 79.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.5 mt -77.41 -17.79 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.84 -19.45 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.2 t -103.62 -56.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.26 -19.24 34.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 63.94 33.79 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 83.6 mt -82.18 93.08 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -98.18 -29.78 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.1 tp -51.97 129.5 27.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 9.4 mm -59.22 -55.15 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.08 -58.45 8.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -59.59 -45.96 90.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.31 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.54 -67.63 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.37 -42.75 61.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -51.66 -61.74 2.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.4 mt -61.77 -44.38 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 tt -51.69 -40.99 61.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.45 -33.18 42.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.111 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.2 t -65.07 -31.5 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.08 -41.27 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 179.824 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.842 0.353 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.71 123.76 48.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 89.8 t -52.52 -38.83 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.36 -38.34 93.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -68.15 -48.18 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -63.88 -46.6 84.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 tp -63.25 -41.83 99.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -66.56 -40.13 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -64.81 -47.17 79.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.5 pt -72.86 -26.81 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.21 -104.24 0.22 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.5 mt -155.12 156.44 31.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 79.19 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.383 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -125.53 -37.95 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -99.4 19.12 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.2 -59.18 4.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -54.21 -46.3 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -57.15 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.51 -59.48 4.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -53.71 26.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -23.36 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.043 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -91.67 14.53 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 -21.07 43.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -78.29 67.37 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.93 -23.35 16.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -128.18 122.18 31.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.6 t -52.09 -29.12 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -57.01 -25.32 58.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.24 -29.99 59.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ptp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.763 0.316 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.9 ttm -57.47 156.23 8.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -129.85 165.83 21.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -54.47 -40.01 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -51.92 -59.17 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -61.52 -43.07 99.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 tp -50.75 -44.01 58.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.7 tp -85.86 -21.3 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.78 -33.25 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.2 mt -66.24 -74.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.056 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.16 57.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.1 t60 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -51.7 -58.73 5.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -55.91 -40.97 73.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -56.6 -68.75 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.0 mt -51.18 -46.7 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -54.04 -56.98 12.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.59 -38.98 67.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.36 -49.02 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.3 mm -58.08 -39.14 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -79.14 -27.16 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.19 -20.49 41.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.68 0.753 . . . . 0.0 110.936 179.861 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.722 0.296 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -99.52 170.25 8.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 100.0 t -51.47 -36.16 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.02 -58.19 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -51.68 -33.89 36.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -72.82 -58.89 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.97 -20.17 36.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.53 -31.28 45.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 t -90.07 -17.2 28.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.6 mm -92.34 18.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 40.84 38.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.3 mt -129.05 45.15 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.71 62.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -52.04 -45.31 64.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -30.78 47.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -48.71 -34.46 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -64.42 -54.25 35.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.46 83.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -56.11 -46.04 79.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.13 -62.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.4 pt -53.33 -30.5 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -69.24 -32.62 71.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.79 11.32 7.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -83.95 98.03 9.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.001 0.429 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.89 -58.25 2.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.8 m -105.0 147.91 27.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -33.31 32.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -41.72 60.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.18 -31.53 70.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.4 mt -65.09 -19.17 65.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -95.43 -1.84 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -98.87 23.63 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.3 pt -136.75 153.12 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.51 179.22 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -51.03 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.8 p -51.68 -43.25 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -55.2 -39.61 69.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.0 tp -75.46 -53.3 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.955 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.41 -17.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -97.27 -56.21 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.57 -55.94 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.26 -16.93 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.8 mttm 53.52 44.84 29.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 33.4 mt -81.23 -70.32 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.7 t30 57.28 34.81 25.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.5 tp -128.99 134.42 48.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 44.9 mt -68.03 -50.88 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -54.12 -47.74 66.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -68.16 -59.93 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.813 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -27.84 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.6 tptt -75.08 -61.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -54.74 -34.72 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 75.8 mt -73.77 -52.98 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.12 -34.78 73.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.26 -51.04 19.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -56.49 -42.52 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 39.4 mt -75.15 -42.76 55.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.901 0.381 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.33 147.38 47.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 t -59.13 -47.02 91.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.04 -52.58 50.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -62.83 -54.66 35.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -55.43 -61.18 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 tp -51.23 -41.32 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.85 -33.97 77.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -73.37 -52.47 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.775 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.9 pt -68.03 -24.79 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.56 -113.4 0.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.92 160.4 31.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 89.18 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -142.44 -42.38 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -92.94 11.96 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -62.61 -45.87 90.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -59.02 -50.51 73.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -56.0 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.11 -63.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 ttt -51.86 -49.64 62.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.28 -25.82 64.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -93.17 20.06 7.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.99 -14.99 55.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -81.15 54.11 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -81.98 -26.49 33.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.49 112.18 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.42 -32.72 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -56.01 -23.21 31.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.73 -29.99 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.72 123.51 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -111.88 -176.41 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -61.92 -35.89 79.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -52.42 -62.12 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.97 -41.32 95.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 tp -49.74 -43.81 48.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.36 -24.56 24.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -65.08 -32.76 74.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.7 mt -67.58 -74.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.74 38.26 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.1 t60 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.779 0.323 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.3 ttp85 -50.84 -59.19 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -61.33 -30.93 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -60.09 -64.48 0.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.02 -38.06 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.41 -66.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.39 -39.92 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.05 -65.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 tp -57.34 -20.97 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -87.28 -26.18 23.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.91 -8.38 28.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 t -135.89 176.19 8.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 t -53.86 -35.9 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -64.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -51.77 -31.14 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -72.35 -61.03 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.23 -22.2 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.74 -24.74 51.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 m -92.47 -15.83 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mm -92.97 18.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 58.1 22.31 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.9 mt -123.9 143.1 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.1 -48.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -56.02 -32.45 64.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -54.05 -30.09 46.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.7 m -49.98 -34.37 20.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -62.72 -53.06 60.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.99 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -56.96 -44.55 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.26 -61.4 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.7 pt -54.84 -29.99 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -71.02 -27.21 63.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.69 33.6 4.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -95.52 35.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.988 0.423 . . . . 0.0 110.934 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 36.1 p -63.68 -29.3 70.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -88.5 141.21 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 tpt -69.27 -56.89 6.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.01 -30.17 14.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.2 tt -53.63 -40.78 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 71.6 mt -62.78 -25.23 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -97.05 14.34 25.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -119.88 27.34 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.9 pt -135.14 150.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -97.94 173.05 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -50.93 -40.63 57.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.63 -43.68 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -57.0 -39.28 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.1 tp -75.0 -54.37 7.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 40.3 mt -59.37 -20.08 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -94.11 -56.1 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.81 -58.65 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.11 -16.29 61.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt 52.19 52.34 14.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 68.7 mt -86.31 -50.65 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.9 p30 41.97 39.42 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.7 tp -132.35 118.12 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 65.3 mt -50.71 -50.47 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.36 -73.09 0.4 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -51.46 -45.69 62.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -51.41 -60.85 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -52.34 -49.34 64.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -53.18 -65.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 54.1 mt -52.58 -54.15 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.6 mt -53.17 -30.69 38.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.12 -47.95 39.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 82.1 p -58.75 -48.26 81.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.81 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.57 -42.76 67.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -134.21 143.37 47.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.55 -36.36 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.74 -56.79 23.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -64.59 -49.87 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.0 t90 -54.22 -53.16 57.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 tp -65.77 -31.31 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -72.42 -26.71 61.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -82.63 -50.46 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.6 pt -73.04 -30.05 30.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.95 -119.43 1.01 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mt -139.39 159.04 67.54 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.679 0.752 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.13 25.35 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -53.86 -27.93 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -97.86 -16.07 19.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -51.73 -49.08 63.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -53.27 -47.36 69.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -62.09 -53.74 51.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.82 -63.44 1.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.1 ttm -50.71 -51.62 48.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.45 -25.65 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.058 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -93.91 20.36 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 -20.41 37.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -78.4 69.4 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.8 -22.31 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -114.39 130.2 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.2 t -57.35 -31.98 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -54.79 -25.88 30.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.82 -27.12 27.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.877 0.37 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.2 ttm -51.88 121.65 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -88.56 174.99 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.59 -36.17 73.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -54.29 -59.22 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.27 -51.13 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 tp -49.65 -40.21 38.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.2 tp -82.81 -25.35 32.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -73.28 -32.72 64.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.4 mm -52.17 -71.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.23 -32.01 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.12 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.748 0.309 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -62.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.43 -41.35 63.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -55.48 -67.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.2 mt -57.87 -28.14 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.5 -72.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -57.24 -29.4 63.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.94 -45.12 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 tt -85.78 -8.13 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -96.48 -29.93 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.33 -38.07 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.561 0.695 . . . . 0.0 110.927 179.861 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.826 0.346 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -64.36 157.41 26.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.51 -43.5 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.42 -62.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -51.33 -33.5 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -68.79 -62.14 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.2 mt -57.76 -22.53 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.78 -17.76 57.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.8 p -106.3 -13.59 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.4 mm -88.5 10.24 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 66.24 18.88 11.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.33 179.25 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.49 -54.42 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -49.76 -43.57 48.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -49.97 -31.36 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.4 m -46.86 -42.19 16.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 93' ' ' ALA . 19.5 pttt -64.11 -43.25 95.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 92' ' ' LYS . . . -66.92 -51.4 55.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -56.44 -43.29 79.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.18 -60.04 3.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 pt -57.91 -23.69 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -76.68 -27.13 55.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.06 2.42 22.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -74.07 97.71 2.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.88 -25.82 9.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -123.99 129.83 51.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.6 ttm -51.85 -33.61 37.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.47 -39.34 33.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.1 mt -58.06 -37.47 74.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.94 -21.67 58.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.0 -29.44 68.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -97.88 24.37 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.27 129.88 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.03 178.35 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -57.15 -68.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.1 p -49.23 -46.38 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.96 -40.99 74.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.1 tp -68.97 -36.84 78.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 54.2 mt -78.34 -17.31 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -98.75 -21.44 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 90.1 t -103.69 -55.72 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -87.14 -26.86 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? 64.48 44.64 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.5 mt -86.65 101.06 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -97.94 -34.78 10.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.5 tp -52.48 132.9 35.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 58.8 mt -69.78 -40.54 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.11 -46.42 93.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -69.66 -50.79 40.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -30.96 69.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -73.54 -56.21 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -53.46 -44.02 68.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 87.4 mt -68.5 -54.95 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.29 -41.21 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.67 -52.27 46.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.68 -44.04 62.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.3 mt -69.86 -53.85 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.877 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.52 130.38 40.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.5 t -51.05 -39.69 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.61 -46.31 94.01 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.57 -54.98 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -56.12 -48.51 76.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.7 tp -62.08 -36.25 81.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.11 -30.85 67.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -74.75 -43.25 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 pt -77.88 -31.01 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.75 -125.45 1.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -133.31 156.11 80.15 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 68.96 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -120.77 -15.62 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -122.08 0.09 9.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -51.8 -54.74 25.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -55.74 -49.97 71.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -52.69 61.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -57.37 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.2 mtt -54.76 -54.42 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.77 -23.68 60.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -90.2 13.55 14.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.82 -22.38 39.64 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.455 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -80.72 65.26 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -97.87 -20.71 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -118.52 120.31 37.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.6 t -51.08 -33.26 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -51.54 -30.23 19.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.75 -25.68 19.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.8 mtt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.76 0.314 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.2 mtp -52.6 121.49 7.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -97.03 176.28 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -33.25 75.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -58.34 -62.19 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -62.36 -42.07 99.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.2 tp -57.69 -45.05 86.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 tp -79.57 -21.35 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -75.91 -35.84 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 mt -58.95 -71.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.7 35.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.9 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttp-105 -50.59 -58.04 6.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.62 -45.12 85.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -57.79 -64.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -51.64 -35.05 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.6 mt -66.98 -52.29 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -60.62 -39.63 88.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.27 -58.9 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.15 -27.2 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -77.92 -37.4 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.86 -8.51 54.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 110.975 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.816 0.341 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.4 m -153.27 167.39 29.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.9 t -51.82 -37.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.14 -58.08 7.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -68.78 -12.38 61.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -84.29 -42.27 15.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.5 mt -88.2 -44.55 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -59.54 -21.06 59.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 t -94.64 8.62 41.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.5 mt -113.81 -71.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -150.36 -65.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.4 125.64 51.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.58 -4.41 58.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -54.98 -40.49 70.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -53.38 -27.83 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.5 m -46.64 -34.42 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -62.03 -54.59 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.5 89.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -55.92 -48.01 76.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.81 -63.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.3 pt -52.11 -29.08 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -71.28 -34.41 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.99 0.16 7.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -74.05 97.83 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.2 p -114.05 -26.82 7.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.189 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 m -107.27 138.62 43.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.0 tpp -59.58 -54.27 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -50.72 -33.15 21.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 tt -55.99 -39.43 71.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.09 -24.06 66.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -83.92 -13.91 52.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -80.96 -29.02 35.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.3 pt -81.74 156.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -106.77 179.27 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.29 -65.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.45 -42.83 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -53.33 -53.58 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.81 -26.61 66.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 42.1 mt -76.47 -24.1 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -101.2 -18.34 16.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 72.4 t -96.8 -54.16 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.86 -14.25 42.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp 59.93 43.81 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.3 mt -93.17 109.42 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.37 -28.91 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.6 tp -51.19 139.48 18.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 14.3 mm -61.6 -66.99 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -44.48 -61.42 3.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -50.52 -54.96 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -51.15 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -52.32 -36.39 53.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -58.33 -63.18 1.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 22.6 mt -63.74 -50.31 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 tp -49.93 -48.18 51.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.35 63.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.5 t -64.43 -40.98 96.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.1 mt -87.12 -55.24 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 179.865 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -127.53 132.08 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -51.04 -45.58 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.59 -42.1 83.52 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.417 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -67.89 -52.74 32.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.0 t90 -57.69 -53.4 58.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.7 -48.91 78.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -56.66 -38.34 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.7 t -65.99 -56.68 10.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.1 pt -61.67 -24.22 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.34 -101.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.552 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.01 160.07 29.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 83.53 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -137.52 -47.52 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -84.7 -9.21 58.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -51.93 -41.19 61.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -59.44 -59.35 5.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -53.25 41.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.81 -63.24 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt -50.08 -55.54 14.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.26 -25.23 47.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.41 21.02 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.88 -24.23 19.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.14 73.58 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -109.58 -20.69 12.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -118.46 130.83 56.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.39 -33.48 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.49 -26.16 41.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.48 50.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.053 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.828 0.346 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 167.49 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -152.14 171.3 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -59.08 -36.63 75.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -50.15 -59.77 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.21 -37.31 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.808 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -44.07 59.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.1 tp -86.12 -32.87 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -63.44 -25.88 68.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.801 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.1 mt -81.06 -74.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.48 88.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.16 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.6 t60 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -54.79 -47.95 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -61.44 -49.39 77.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -53.09 -63.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.6 mt -54.14 -39.83 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mt -56.71 -67.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.26 -32.56 56.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.15 -68.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -53.64 -28.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -79.11 -33.23 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.6 mt -83.11 -19.49 36.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.964 179.824 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.771 0.319 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -160.17 134.29 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.796 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -51.6 -49.94 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.58 94.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.96 -24.92 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -87.07 -41.76 13.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.2 mt -75.71 -29.33 58.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.22 -48.61 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.3 t -62.95 -16.97 61.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mt -103.2 29.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 51.15 30.2 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.3 mt -127.55 128.01 44.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.26 -45.7 0.13 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -50.16 -43.85 52.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.79 0.328 . . . . 0.0 110.821 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -49.24 -35.96 18.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.1 m -46.47 -41.8 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -48.96 78.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.08 -47.27 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -56.5 -42.17 77.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -62.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.4 pt -49.55 -30.08 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -78.18 -33.86 49.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.11 50.0 0.74 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -112.59 22.59 14.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.976 0.417 . . . . 0.0 110.927 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 p -49.39 -54.79 15.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.218 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.85 162.36 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 85.2 mmm -103.43 -44.11 5.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -43.95 -52.38 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.41 -34.36 75.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.18 -11.45 57.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -109.96 3.29 20.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.08 12.83 12.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.7 tt -90.81 165.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -117.79 161.32 19.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -50.55 -60.6 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.28 -40.31 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.9 -42.03 97.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -43.82 83.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 44.0 mt -76.06 -16.93 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -95.64 -21.13 18.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.15 -59.24 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.65 -17.14 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 63.89 37.98 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 55.5 mt -81.87 101.08 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -84.08 -29.42 26.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.8 tp -63.34 116.8 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.36 -36.0 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.26 -46.08 94.67 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -69.75 -56.33 7.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -36.5 61.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -71.31 -47.65 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -53.83 -50.25 66.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.6 pt -69.62 -38.87 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.69 -49.95 75.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.98 -32.47 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.9 t -65.65 -48.37 72.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 23.3 mt -73.01 -46.71 50.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.492 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.894 0.378 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.1 m -141.62 127.72 19.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 74.7 t -51.1 -34.65 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.29 -57.37 19.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -60.99 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -57.82 -60.67 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp -56.04 -32.16 63.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.76 -31.91 65.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t -75.44 -39.63 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 pt -85.53 -20.61 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.24 -126.53 0.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -130.94 157.18 78.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -5.69 16.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.748 2.299 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -27.47 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -107.2 -13.78 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -50.93 -59.11 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -51.08 -41.91 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -59.89 -57.18 13.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mp -51.5 -57.5 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.6 mtp -50.49 -60.32 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -19.24 49.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -92.7 17.53 10.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.16 -24.31 22.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.05 63.72 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -95.93 -27.14 15.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -105.32 122.44 45.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.5 t -52.71 -24.01 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -53.79 -39.15 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.52 -19.94 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.6 mtm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.18 159.6 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -168.61 176.17 5.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.82 -38.14 77.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.39 -46.69 73.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.58 -57.09 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.31 -28.22 11.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.5 tp -85.88 -38.88 17.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -65.92 -25.08 66.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -67.07 -76.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.38 36.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.772 0.32 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -60.05 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -59.02 -36.67 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -57.17 -60.63 3.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -59.18 -53.9 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mt -52.31 -64.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -49.99 -39.1 39.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.44 -53.6 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.6 mt -58.58 -39.57 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -23.73 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.3 tp -87.93 -18.89 28.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.865 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 84.2 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.0 m -134.41 160.36 38.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.1 t -50.72 -33.01 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.98 -56.2 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -71.91 -12.1 61.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -88.08 -37.65 16.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.8 mt -90.45 -30.9 17.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -79.56 -4.51 51.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.3 t -116.4 11.17 14.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.2 mt -113.2 -64.7 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -156.02 -51.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -131.94 133.99 45.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.39 -8.35 41.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.34 -42.98 70.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -52.94 -27.88 20.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.6 m -45.91 -35.19 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -61.02 -54.8 40.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.81 87.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -55.34 -47.65 75.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.7 -62.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.1 pt -53.81 -26.4 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -73.93 -32.69 63.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.58 13.88 5.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -88.02 95.65 10.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.68 -31.8 6.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -99.61 168.96 9.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.1 mmt -83.86 -53.54 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -49.57 -33.89 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.01 -41.3 71.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.49 -22.9 67.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -95.4 4.53 53.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -98.13 -24.53 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.2 pt -86.88 152.87 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -104.06 -177.66 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -52.05 -64.38 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.3 p -50.36 -41.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -59.36 -40.87 87.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.5 -39.28 77.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 39.3 mt -77.44 -17.33 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.93 -21.94 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 89.1 t -104.56 -56.97 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.53 -25.12 28.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt 58.98 47.93 11.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.4 mt -94.37 102.39 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -97.44 -36.71 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.5 tp -51.01 129.18 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 44.7 mt -62.73 -47.86 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.37 -63.62 4.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -57.85 -53.7 55.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -66.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -52.47 -41.47 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -64.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 33.3 pt -61.71 -31.35 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.54 -48.33 81.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.19 -38.94 72.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 p -64.12 -43.69 94.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.29 -51.31 31.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.939 0.4 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -121.6 137.12 54.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.0 t -50.09 -44.71 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.22 -43.71 84.06 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.25 -57.16 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.7 t90 -53.45 -44.67 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 tp -64.3 -46.18 84.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.58 -30.27 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -75.8 -57.08 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.6 pt -58.15 -32.5 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.98 -114.46 0.36 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.517 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 mt -134.7 159.0 73.83 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.681 0.753 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 75.87 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.406 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -119.59 -29.26 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -101.49 1.56 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.11 -66.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -52.42 -51.65 58.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.36 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -49.65 -55.83 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.97 -60.88 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.51 -20.55 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -91.64 13.86 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.4 -23.7 26.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -77.06 66.86 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.962 0.41 . . . . 0.0 110.839 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -98.41 -22.22 16.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -122.42 127.68 49.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -53.44 -32.32 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -57.72 -27.73 63.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.78 -25.98 43.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.837 0.351 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.95 147.37 5.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.94 176.29 8.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.29 -48.14 82.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -51.67 -39.18 57.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -67.81 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.93 -33.53 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 tp -77.69 -44.89 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.14 -35.52 67.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.8 mt -53.19 -73.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.99 73.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.3 mm . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 111.166 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -39.03 57.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -62.23 -54.27 43.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -54.6 -55.9 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.77 -33.14 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.55 -58.16 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -63.15 -32.78 74.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.71 -40.38 76.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.3 tp -86.65 -12.9 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -97.45 -22.43 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 tt -116.39 -40.56 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.606 0.717 . . . . 0.0 110.967 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.815 0.34 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 m -74.75 173.8 10.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.77 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.9 t -54.86 -41.37 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.38 -70.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -51.38 -40.05 58.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -57.52 -68.42 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.99 -28.47 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -56.94 -23.62 46.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -100.47 -12.12 19.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.7 mm -90.53 12.35 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 66.89 13.73 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.51 178.4 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.67 -53.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.35 -39.25 45.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -52.83 -32.47 44.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -46.2 -35.73 5.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -65.04 -57.09 9.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.65 -47.28 86.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -56.26 -47.03 79.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.23 -61.07 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.8 pt -56.04 -25.03 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -75.3 -27.17 59.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.48 11.31 15.38 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -80.8 97.91 7.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.961 0.41 . . . . 0.0 110.96 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.64 -48.28 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.196 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.67 137.67 37.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -33.22 74.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -41.88 62.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.98 -30.6 68.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.5 mt -61.63 -24.08 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -93.78 16.61 13.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.29 21.43 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.7 pt -128.75 162.92 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -113.76 177.94 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -53.17 -59.3 4.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -51.2 -42.59 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -60.39 -43.41 96.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.09 -38.56 91.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 47.9 mt -80.27 -17.56 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.33 -19.05 20.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.1 t -107.68 -55.2 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.34 -28.1 18.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 49.38 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 22.8 mt -95.55 97.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -93.07 -21.26 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.9 tp -65.66 118.42 9.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 65.7 mt -54.38 -44.45 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.04 -73.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.547 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -49.12 -52.28 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.723 0.296 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -50.78 -65.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -51.8 -34.99 42.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.43 -66.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.2 pt -62.44 -36.09 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.4 tp -60.27 -59.84 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.94 -30.37 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -67.41 -52.19 42.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.902 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 44.6 mt -69.4 -52.28 28.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 m -115.69 124.87 51.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.2 t -51.6 -43.4 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.22 70.03 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -58.22 -52.8 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -60.24 -56.04 26.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.2 tp -56.9 -27.67 61.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -76.23 -39.83 53.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 t -67.49 -43.21 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.3 pt -81.1 -30.53 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.37 -107.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -153.03 159.25 32.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -8.23 23.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -54.06 -27.19 30.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -102.34 -13.84 17.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -51.6 -54.28 29.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -51.62 -49.59 61.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -53.6 56.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.798 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.73 -58.98 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.9 ttm -51.03 -56.39 12.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.22 -22.92 53.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.33 19.69 7.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.48 -24.57 22.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -78.29 70.04 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -102.55 -24.96 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -117.58 126.42 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.9 t -57.43 -22.06 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -57.67 -30.11 65.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.57 -25.98 29.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.889 0.376 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.3 mtp -52.16 151.0 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -126.96 170.41 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -50.02 69.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -58.21 -44.56 88.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.85 -66.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 pp -51.28 -31.17 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.7 tp -73.42 -35.38 65.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.74 -30.19 61.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.9 mm -49.66 -67.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.19 39.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.791 0.329 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -51.58 -58.0 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -55.29 -31.06 61.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -66.0 -58.1 6.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.42 -33.12 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.78 -62.98 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -59.23 -35.47 73.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.15 -61.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -25.16 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -76.93 -43.9 33.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.81 -15.16 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 179.916 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.835 0.35 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 m -76.85 161.64 28.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.7 t -52.97 -36.03 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.85 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -61.6 -18.07 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -76.64 -51.94 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 mt -76.2 -39.71 54.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.33 -25.54 67.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.0 t -89.68 5.24 46.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.9 mt -110.46 -74.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -174.1 -52.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.48 -79.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.07 -54.43 4.23 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -50.28 -41.5 50.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -51.22 -28.14 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.4 m -44.76 -38.18 4.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.81 -59.67 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.38 76.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.06 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -58.49 -53.91 53.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.41 -57.23 12.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.3 pt -59.15 -27.59 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -73.76 -17.67 61.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.0 12.3 14.42 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -90.07 98.7 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 0.0 110.904 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.41 -20.66 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 m -127.25 127.49 44.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.3 ttm -54.37 -32.88 57.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -51.27 -44.75 61.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.9 -31.61 60.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.3 mt -61.97 -19.61 62.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -22.03 60.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -103.25 17.99 22.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.8 mm -99.16 128.6 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -102.97 172.02 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.064 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -54.45 -64.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 p -49.68 -45.89 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.71 -36.66 74.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -39.54 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 40.1 mt -76.38 -20.59 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -91.94 -27.57 17.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.8 t -96.64 -58.38 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.28 -39.06 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.8 mttt 64.4 47.05 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.8 mt -67.07 -62.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.6 t30 50.15 49.36 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.1 tp -145.53 127.45 15.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.6 mm -52.97 -64.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -44.99 -66.45 1.47 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -49.85 -46.89 51.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.14 -63.82 1.03 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.53 -42.32 54.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -57.94 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.4 mt -63.39 -54.26 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.6 tp -50.51 -31.97 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.47 -47.45 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.4 t -63.89 -26.57 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.7 mt -87.19 -45.17 10.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.496 179.871 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.79 0.329 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 m -152.75 134.14 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -52.35 -49.17 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.46 -41.4 88.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.4 -52.11 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.724 0.297 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -61.49 -53.21 59.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.16 -44.29 71.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.79 -36.1 81.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.7 t -65.7 -39.16 90.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.3 pt -82.51 -25.08 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.03 -112.18 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.0 159.19 43.61 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.569 0.699 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 73.28 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.47 2.11 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -137.93 10.07 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.65 -55.53 22.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -56.56 -49.39 74.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.73 -59.17 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mp -50.21 -59.43 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.1 ttm -50.51 -57.03 9.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.63 -23.33 50.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -93.24 20.33 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.91 -24.44 21.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.409 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.23 69.63 4.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.37 -24.49 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -121.39 129.72 53.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 t -59.15 -23.06 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -59.88 -21.92 61.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.62 -20.48 56.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.0 ttt -52.15 107.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -79.64 158.69 26.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -53.42 -44.27 68.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.72 -55.76 10.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.58 -50.42 72.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.6 tp -49.04 -53.08 21.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.39 -29.45 68.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -67.3 -31.21 71.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.4 mt -63.54 -74.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.68 52.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.442 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.3 mm . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.883 0.373 . . . . 0.0 111.107 -179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.8 t60 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.3 -63.6 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -52.34 -37.66 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 tpt85 -56.74 -63.17 1.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.7 mt -59.59 -34.37 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.61 -63.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -57.72 -34.29 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.74 -69.63 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.6 tp -52.46 -28.97 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -79.14 -32.87 44.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.38 -20.55 43.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.5 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.986 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.752 0.31 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -171.52 161.52 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -51.15 -37.63 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.72 -55.76 26.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -70.78 -14.85 62.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -81.51 -39.07 25.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mt -91.15 -43.45 9.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -26.89 62.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.0 m -83.67 -12.87 55.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.1 mt -88.09 -72.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -159.78 -54.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.63 123.3 42.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.99 -2.8 58.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -54.0 -40.87 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -51.93 -29.71 21.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.0 m -45.08 -36.84 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -62.22 -50.04 73.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.13 84.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -55.73 -47.58 76.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 40.9 mt -63.1 -62.97 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.8 pt -49.88 -29.59 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -73.95 -36.04 64.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.53 -11.46 4.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -65.45 97.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.99 -40.43 6.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.6 m -107.05 163.29 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.4 ttm -74.03 -43.23 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.43 -39.11 31.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.83 -37.7 74.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.88 -20.0 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -86.61 -8.34 57.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -93.8 18.26 10.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.3 pt -138.93 142.65 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.5 -173.09 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -52.84 -62.32 1.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 p -49.55 -42.66 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -60.76 -40.09 91.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 38.8 tp -68.16 -38.45 82.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.9 mt -80.8 -16.57 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.89 -21.02 17.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.6 t -102.43 -52.47 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -91.31 9.99 29.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.2 pttt 39.02 45.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 57.9 mt -93.01 98.59 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -94.84 -34.24 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.2 tp -51.54 124.96 13.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.24 -50.16 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.05 -64.29 3.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -53.19 -53.78 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.732 0.301 . . . . 0.0 110.811 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -28.37 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -63.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.02 -41.14 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 21.1 mt -71.58 -50.99 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 63.0 tp -51.1 -47.45 61.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.74 -43.07 69.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 35.5 t -57.67 -32.45 67.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.62 -51.63 8.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.436 179.872 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -126.76 128.91 47.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.7 t -51.11 -50.46 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.66 -48.01 67.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.417 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -58.26 -57.3 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -57.23 -57.68 11.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -33.73 40.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -76.96 -30.55 56.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.5 t -78.7 -23.75 45.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 pt -102.22 -20.25 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.83 -137.82 3.37 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.409 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -116.53 157.58 45.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.576 0.703 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -169.72 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 63.34 13.34 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.97 -24.84 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -54.35 -44.57 72.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -51.51 -48.45 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.51 -53.47 47.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -53.44 -61.29 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.26 -51.96 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.57 -27.95 65.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -88.51 7.8 31.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.65 -24.02 31.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -79.67 61.9 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -99.39 -17.35 18.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -120.91 124.75 45.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.38 -31.31 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.86 -25.16 55.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 -30.91 59.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.818 0.342 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.6 tpp -52.59 101.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -71.33 162.2 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.2 -48.75 80.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -54.81 -37.64 66.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.87 -62.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -29.26 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.82 -33.08 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.973 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.77 -34.55 78.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.5 mm -50.85 -73.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.32 36.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 111.143 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.7 t60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.786 0.327 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.66 -58.98 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -54.09 -39.14 66.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -57.33 -61.15 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.73 -32.13 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.89 -71.55 0.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -33.18 25.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.86 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.8 tp -66.63 -11.83 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -99.83 -27.19 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.4 tp -89.91 -46.91 8.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.805 0.336 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -164.94 174.71 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.9 t -51.33 -40.01 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.97 -63.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -51.41 -31.95 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -70.43 -60.75 2.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.05 -22.33 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.14 -26.4 38.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -96.97 -14.99 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.7 mm -88.84 10.67 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 59.03 28.05 17.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 mt -127.42 145.16 50.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.39 -44.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -53.08 -40.62 64.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -51.91 -31.22 27.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.1 m -49.16 -38.26 24.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -61.29 -55.71 28.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.49 86.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -55.72 -45.1 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.96 -63.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.5 pt -52.63 -29.06 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.182 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -68.25 -35.1 77.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.17 12.25 5.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -86.34 97.64 10.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.3 p -113.15 -37.96 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -105.17 137.02 43.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.2 tpp -54.64 -47.74 73.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -47.44 -33.99 6.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.97 -44.32 74.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.83 -21.79 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -68.15 -22.15 64.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -99.54 20.17 14.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.13 139.48 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.16 -172.66 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.034 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -57.2 -56.51 20.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.7 p -55.17 -44.66 75.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.8 -35.56 78.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.5 -44.68 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.9 mt -78.38 -15.26 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -96.86 -21.9 17.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.75 -56.71 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.92 -20.31 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt 58.72 46.94 13.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 32.1 mt -92.25 117.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -117.98 -28.04 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 15.0 tp -51.69 131.54 30.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.0 mm -54.75 -65.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -45.14 -63.31 2.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -51.93 -41.27 61.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -61.98 -69.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -49.7 -45.02 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -55.14 -69.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 76.5 mt -52.12 -53.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -35.47 40.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.6 -49.23 55.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.1 p -56.23 -43.54 78.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 67.8 mt -75.22 -34.58 61.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.395 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m -160.0 137.26 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.8 t -49.72 -30.6 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.81 -54.41 33.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -67.12 -47.04 72.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -56.82 -57.2 13.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -58.14 -46.97 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.39 -34.6 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -68.87 -53.56 20.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.782 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.1 pt -65.83 -23.65 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.25 -105.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.4 mt -155.13 157.83 31.91 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.575 0.703 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 72.85 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.667 2.245 . . . . 0.0 112.267 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.46 -26.88 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -113.35 -2.49 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -52.56 -46.95 67.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -58.53 -52.84 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -54.08 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.45 -61.49 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.4 mtp -50.33 -53.39 29.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.58 -24.27 63.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -94.1 19.71 8.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.98 -24.19 22.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -79.07 68.66 5.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -107.69 -10.28 15.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -125.85 129.12 48.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.2 t -59.3 -21.39 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.16 -24.77 65.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.71 -21.6 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.875 0.369 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.5 ttm -59.37 123.85 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -97.68 -178.01 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.17 -35.87 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -54.11 -60.99 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.28 -40.82 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 tp -48.91 -52.12 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.66 -35.34 62.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -61.94 -25.66 67.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 mm -73.07 -69.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.19 42.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.116 -179.927 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.76 0.314 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -52.13 -49.32 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.04 -51.86 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.41 -61.19 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.5 mt -59.03 -31.25 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.97 -58.48 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -61.87 -43.96 97.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.01 -59.09 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.5 tt -61.89 -27.31 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.01 -44.11 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.25 -65.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.8 tp . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.872 179.901 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.756 0.313 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.3 m -126.94 163.53 23.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 64.7 t -51.53 -38.44 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.04 -61.91 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -51.94 -30.93 26.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -76.0 -60.02 2.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.53 -27.74 17.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.62 -23.98 44.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -74.83 -22.39 58.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 mm -94.94 23.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 39.82 42.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 mt -110.99 -79.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.52 -52.46 4.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.88 -46.54 51.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -53.8 -32.89 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.7 m -47.95 -34.1 8.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -64.41 -56.51 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.61 -44.29 89.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -58.71 -47.72 83.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.95 -59.09 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.0 pt -56.8 -28.98 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -72.45 -26.46 61.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.87 5.08 20.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -75.85 96.65 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.906 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.54 -30.67 8.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.178 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.0 170.67 7.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.5 ttt -101.67 -42.33 6.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.85 -41.35 64.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -29.3 67.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.7 mt -59.18 -22.23 60.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -98.14 22.74 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -123.05 19.46 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.945 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 9.9 pt -125.54 162.73 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -112.18 -174.37 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.8 -57.14 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.7 p -51.31 -43.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -62.69 -47.41 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.65 -36.35 76.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.7 mt -84.14 -19.05 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -93.0 -14.04 27.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.3 t -114.68 -52.23 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -94.87 -25.78 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.1 tptm 64.81 46.29 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 24.8 mt -89.96 95.34 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -96.28 -32.95 12.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.8 tp -51.84 124.26 12.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 73.1 mt -55.34 -51.06 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.89 -70.37 0.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -51.19 -36.29 40.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -67.69 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -44.24 76.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -51.84 -60.63 2.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 74.6 mt -59.12 -49.08 84.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.213 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.3 mp -51.61 -40.81 60.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.41 -43.05 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 t -56.86 -35.18 68.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.0 mt -82.91 -48.99 10.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.846 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.894 0.378 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 m -118.84 133.43 55.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.4 t -51.57 -36.69 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.49 -42.46 98.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -69.06 -47.57 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -64.04 -45.01 90.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.39 -51.47 67.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.71 -27.81 68.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.7 t -71.41 -43.66 66.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 pt -79.64 -32.45 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.44 -122.78 1.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -132.8 157.27 78.77 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.625 0.726 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 74.06 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -125.35 -4.96 7.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -131.2 2.65 4.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.86 -62.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -49.53 -50.16 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -48.26 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -64.8 0.71 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.4 ptp -54.54 -45.69 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.3 67.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -95.93 19.64 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.64 -22.83 31.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -78.96 68.6 4.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.914 0.388 . . . . 0.0 110.961 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -104.72 -24.53 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.1 122.05 43.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.8 t -51.07 -27.15 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -53.95 -41.16 67.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.37 -23.54 62.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.823 0.344 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttt -51.61 110.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -105.0 172.38 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.45 -39.49 79.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.5 -43.49 79.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.5 -56.22 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -23.38 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 tp -92.71 -28.98 16.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -74.93 -36.05 62.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.0 mt -56.33 -74.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.16 38.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.58 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.2 mm . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.893 0.377 . . . . 0.0 111.19 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.819 0.343 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -53.76 -57.92 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -60.7 -35.34 76.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -60.49 -68.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.12 -40.23 54.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.66 -48.91 79.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.19 -42.53 99.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.3 -54.42 37.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.1 tp -63.68 -28.16 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -74.43 -37.49 63.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 pp -90.05 -12.13 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.953 179.851 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.774 0.321 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -52.78 172.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.6 t -59.34 -46.47 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.79 -61.9 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -51.04 -42.47 60.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -57.9 -62.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.0 -20.77 59.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.19 -35.14 73.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.9 m -83.01 -3.76 57.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.5 mt -120.89 26.99 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.237 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 39.87 41.04 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.6 mt -130.07 30.96 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.28 -31.79 56.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.02 -41.94 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -54.77 -26.55 35.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.8 m -49.39 -31.98 10.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -57.0 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.54 -48.26 82.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -55.69 -45.8 77.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.48 -61.54 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.8 pt -54.46 -26.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -75.34 -29.79 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.23 20.27 6.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -87.85 88.94 7.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 110.972 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.8 p -97.77 -43.89 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -86.98 169.78 12.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.3 ttt -101.32 -44.95 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.5 -39.19 64.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -29.51 67.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.9 mt -58.11 -22.83 52.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -96.4 23.7 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -116.66 -0.98 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.4 pt -107.16 160.66 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -111.23 177.86 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -51.12 -62.66 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.49 -45.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -55.71 -42.23 74.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.2 tp -69.37 -35.77 76.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 59.7 mt -78.15 -17.52 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -99.99 -20.74 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.1 t -104.32 -55.54 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.33 -24.47 24.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt 64.2 43.5 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 26.0 mt -90.95 106.06 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -102.29 -30.0 11.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.4 tp -55.06 135.94 48.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 67.4 mt -69.23 -52.15 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -52.15 -45.43 57.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -70.86 -60.63 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -31.12 20.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -73.61 -60.83 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -49.93 -44.86 50.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 58.6 mt -67.52 -51.81 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 67.8 tp -50.12 -46.87 54.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.89 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -46.79 78.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.1 mt -84.89 -25.84 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.875 0.369 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -136.96 128.5 28.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.45 -30.84 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.66 -50.82 45.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.58 -44.63 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -61.0 -44.49 97.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 tp -65.44 -50.32 65.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -23.59 66.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -79.55 -39.83 30.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.1 pt -78.4 -26.65 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.24 -127.49 0.89 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.69 126.93 28.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.88 74.87 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.302 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -131.98 5.07 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -121.03 -7.38 9.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -51.55 -47.78 63.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -53.4 -43.57 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -57.57 8.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.72 -59.41 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 ttt -51.92 -54.82 25.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.67 -23.47 59.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -92.89 19.65 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.02 -22.8 27.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -78.38 70.33 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.96 -18.05 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -121.14 125.33 46.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.3 t -55.03 -28.64 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -59.1 -33.46 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.92 -19.35 41.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.2 mtt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.817 0.342 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.02 157.0 4.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -166.13 -171.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.33 -33.11 74.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -56.24 -60.35 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.58 -41.88 92.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 tp -51.92 -44.14 63.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.9 tp -82.34 -28.68 31.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -65.47 -30.92 71.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -68.63 -74.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 151.34 39.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.3 mm . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 t60 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.729 0.3 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -62.69 -64.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -52.04 -34.54 43.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -64.47 -60.75 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.52 -38.23 69.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -58.94 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -57.16 -36.91 71.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.47 -65.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.6 tt -52.5 -27.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -83.38 -32.18 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.7 tp -82.11 -16.2 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.853 0.359 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.9 t -123.46 173.41 8.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -53.07 -40.21 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.3 -75.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -50.74 -34.01 25.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -58.33 -52.85 63.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.47 -27.48 58.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.99 -6.13 49.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -110.49 9.06 23.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 87.8 mt -114.64 -78.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -177.25 31.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 mt -145.63 -179.25 6.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.8 -52.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -55.02 -35.33 64.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -52.53 -30.84 32.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.9 m -49.07 -37.15 20.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -61.6 -51.78 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.29 90.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -57.43 -45.84 84.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.59 -60.51 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.9 pt -53.96 -29.05 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -72.59 -28.51 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.74 8.6 13.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -81.25 91.65 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.981 0.419 . . . . 0.0 110.942 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.98 -72.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.25 -176.85 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -30.13 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -50.82 -44.02 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -30.53 70.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.4 mt -63.21 -17.26 62.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -90.16 10.4 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -111.58 -45.76 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.939 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.2 pt -54.82 152.02 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.217 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -103.91 178.62 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -55.14 -66.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.807 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.1 -40.56 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -55.07 -56.49 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -26.93 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.9 mt -74.7 -23.86 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.42 -22.67 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 71.0 t -91.1 -54.22 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.72 -18.05 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt 64.34 42.71 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.0 mt -91.09 100.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -94.59 -34.22 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.3 tp -52.46 130.82 32.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 31.6 mt -68.13 -50.08 61.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.87 -42.0 68.58 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -71.89 -60.85 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.812 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -31.98 31.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -73.69 -54.89 7.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -37.86 53.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 57.4 mt -73.71 -53.77 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.62 -38.33 60.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.7 -37.54 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 t -61.02 -34.41 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 74.9 mt -92.88 -37.77 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 m -152.18 124.81 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 86.0 t -53.39 -36.5 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.61 -47.96 88.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -66.92 -49.49 65.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.75 0.309 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -59.24 -51.83 68.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.55 -46.8 86.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.85 -36.15 78.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -66.71 -49.88 64.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 pt -69.91 -24.24 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.38 -102.83 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 mt -152.74 157.62 33.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 72.4 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -127.71 -1.98 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -126.95 -1.46 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.45 -53.92 52.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -54.55 -45.06 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -63.69 -58.04 8.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mp -51.49 -58.53 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.3 ttm -52.47 -54.85 26.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.76 59.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -92.07 14.67 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.34 -23.8 28.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.7 71.74 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.804 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -103.59 -22.98 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -111.61 123.65 50.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -53.37 -27.59 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -58.22 -30.81 66.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -23.84 64.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.9 mtt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 61.46 72.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.9 -167.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -50.95 -34.51 29.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -60.23 -57.96 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -39.66 94.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.18 -41.73 84.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.8 tp -83.99 -22.29 31.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.56 -31.88 62.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.1 mt -67.73 -74.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.45 60.28 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.8 mm . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.848 0.356 . . . . 0.0 111.187 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -51.27 -64.25 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.27 -46.52 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.18 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.0 mt -51.3 -48.3 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 mt -51.14 -58.5 5.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -52.16 -48.36 64.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.36 89.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.3 mm -64.34 -36.16 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.066 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -69.18 -37.94 78.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.6 mt -87.63 -72.51 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.656 0.741 . . . . 0.0 110.934 179.913 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.86 0.362 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -136.57 176.46 8.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.3 t -52.7 -40.55 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.17 -72.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.033 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -50.84 -31.86 18.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -62.79 -57.18 11.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.45 -21.47 63.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.17 -34.7 64.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -95.14 21.78 7.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.0 mt -134.25 23.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.163 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 56.4 23.88 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -126.36 131.81 51.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.45 -42.99 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -54.24 -37.17 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -52.85 -31.6 40.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -48.32 -36.1 13.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -65.35 -58.68 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.46 -44.51 84.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -58.65 -49.27 78.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.5 mt -57.91 -57.39 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.9 pt -58.78 -28.11 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -72.81 -18.35 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.2 28.19 7.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -92.02 47.94 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -75.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.3 t -67.37 126.97 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.1 ttt -51.39 -35.01 36.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.71 -29.99 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -51.35 -47.83 62.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.23 -24.97 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -66.62 -17.65 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -127.28 50.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.8 mm -118.12 136.0 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.59 164.15 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -46.99 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.6 p -48.53 -32.79 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -54.97 -63.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -25.63 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.2 mt -72.0 -26.28 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -101.71 -24.18 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.7 t -87.76 -56.17 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.27 -16.84 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 51.27 37.78 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.59 -62.85 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.199 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 52.09 37.36 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.2 tp -130.75 121.48 25.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.62 -51.08 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.83 -56.72 19.21 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -61.97 -59.51 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.336 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.92 -27.56 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -74.25 -62.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -51.41 -39.43 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 58.2 mt -71.03 -51.3 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 55.9 tp -50.81 -46.68 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.65 -37.17 65.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.2 t -59.07 -34.51 72.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 55.6 mt -93.2 -54.66 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 179.899 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.924 0.392 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.9 m -139.95 135.52 32.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.7 t -50.27 -39.21 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.0 -47.87 89.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.74 -53.0 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.766 0.317 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -58.86 -54.36 47.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 tp -57.69 -35.74 71.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -67.75 -39.87 84.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.9 t -66.47 -47.69 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.7 pt -74.55 -23.6 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.09 -103.76 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.1 mt -154.47 154.48 29.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.68 0.752 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.96 22.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -53.7 -27.98 31.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -101.04 -13.79 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -50.98 -47.59 61.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -51.7 -45.22 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -48.49 75.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.85 -63.83 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.3 ptm -54.2 -45.87 72.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.07 67.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -94.62 18.67 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.26 -20.79 44.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.436 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -78.93 63.57 3.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.45 -14.12 16.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.18 123.19 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -56.69 -22.61 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -59.32 -31.6 69.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.61 -14.45 58.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.6 mpp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.846 0.355 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 102.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -113.21 -176.74 2.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.4 -36.66 64.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -50.99 -59.86 3.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.99 -42.43 94.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tp -50.58 -39.38 49.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.56 -28.1 22.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -18.08 61.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 mt -74.05 -49.71 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.21 -13.77 1.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.462 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 111.138 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.811 0.338 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.74 -46.09 63.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -63.99 -36.23 83.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -63.28 -51.03 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.18 -51.38 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.41 -52.6 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.45 -51.94 60.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.92 -56.16 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.0 tt -65.87 -29.79 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -62.0 -43.25 99.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.02 -65.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.878 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.828 0.346 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -85.65 169.56 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 49.2 t -52.65 -33.45 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.07 -67.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.94 -15.95 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -78.63 -37.61 41.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 mt -90.74 -38.16 13.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -66.91 -15.67 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -95.73 -17.59 21.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.9 mt -86.95 -77.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -139.75 -71.49 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.7 134.14 54.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.18 -4.09 55.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.448 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -56.22 -40.91 74.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.874 0.369 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -54.27 -24.58 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.037 0.446 . . . . 0.0 110.943 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.1 m -48.01 -32.5 6.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -64.28 -55.97 17.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.22 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -58.84 -48.81 80.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.7 mt -60.07 -59.28 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.6 pt -56.44 -29.18 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.05 -25.45 62.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.73 31.04 4.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -98.58 34.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.963 0.411 . . . . 0.0 110.93 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 p -55.91 -29.32 59.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.0 t -101.96 129.34 48.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -48.09 81.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.78 -30.94 24.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.87 -36.93 68.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.08 -23.8 67.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -5.89 58.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -104.74 26.48 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.2 pt -142.53 148.33 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.12 -175.31 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.12 -58.19 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.54 -42.94 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -57.78 -46.11 85.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -37.8 85.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.1 mt -75.13 -19.82 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -97.26 -20.21 18.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.0 t -103.06 -59.9 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -78.28 -21.17 50.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt 64.2 41.92 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 25.4 mt -86.42 112.3 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.144 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.74 -33.46 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.2 tp -55.44 132.22 47.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.71 -58.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -46.65 -62.22 3.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -54.5 -59.04 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.57 -63.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -38.78 31.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -52.71 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.9 mm -61.58 -57.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.0 mp -51.47 -55.88 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.21 -44.62 71.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 t -54.96 -57.31 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.55 -46.85 88.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.739 0.304 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.36 129.03 39.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -127.87 134.5 49.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.4 t -50.91 -41.87 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.97 -47.63 85.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.423 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -66.11 -56.76 9.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.2 t90 -52.56 -53.4 46.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.03 -44.91 87.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.39 -32.9 71.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 t -71.79 -55.48 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.9 pt -65.02 -22.24 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.55 -107.97 0.24 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.511 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.8 mt -153.57 158.82 32.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.644 0.735 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 76.84 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -125.41 -36.16 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -101.25 0.77 38.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.45 -46.95 66.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -61.2 -48.35 81.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -57.58 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -54.05 -57.93 9.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.3 ttm -48.24 -58.77 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.47 -22.18 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.52 13.37 15.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.33 -22.16 31.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -80.29 57.4 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -95.62 -20.3 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.54 125.76 54.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.3 -23.16 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -58.92 -23.93 61.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.03 -25.37 61.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.86 26.52 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.68 -40.4 15.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -97.08 -33.58 11.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.27 104.17 7.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.8 m -51.58 147.07 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.9 ttm -52.11 152.47 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -111.49 157.38 20.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.07 -44.4 78.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -59.15 -39.54 82.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.86 -63.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.97 -31.0 27.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.2 tp -80.66 -32.33 36.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -71.06 -33.76 70.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.7 mt -54.57 -75.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.4 65.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.6 mm -73.27 153.37 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.9 tp -51.75 -68.27 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -159.35 179.17 9.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 54.4 m -58.02 156.16 9.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.11 -9.21 54.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -113.92 -30.01 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.29 -55.93 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -57.79 -39.9 78.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -55.87 -57.24 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.56 -39.12 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.12 -62.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -57.08 -36.44 70.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 -66.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.7 tt -52.57 -28.22 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -81.73 -32.43 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -81.86 -17.16 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.6 mt -48.68 107.85 0.84 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.663 0.745 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 78.06 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.69 4.07 6.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.4 mmt -93.5 122.62 36.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -138.74 158.69 69.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.17 8.21 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.717 2.278 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.9 mm -69.04 -22.35 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.58 64.95 2.87 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -121.2 26.94 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.2 140.33 37.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.783 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -129.54 -161.27 10.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.12 156.02 49.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.313 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -143.54 70.76 17.55 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.42 14.53 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.759 2.306 . . . . 0.0 112.325 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.7 m -110.68 -27.05 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.215 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t -149.46 178.23 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.83 -35.46 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.85 -73.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -52.93 -32.48 45.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -60.63 -56.91 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 mt -65.93 -28.55 69.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.52 -28.84 63.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -92.39 14.69 15.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.9 mt -131.26 29.84 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 53.12 35.08 18.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.7 mt -144.49 140.81 29.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.81 -42.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -56.11 -33.16 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -52.73 -29.14 25.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.2 m -48.16 -36.99 14.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -63.02 -62.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.65 -50.07 66.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -54.92 -47.39 74.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.62 -61.28 2.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.9 pt -56.02 -23.36 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -76.11 -26.25 56.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.68 12.6 11.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -87.04 97.65 10.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 110.968 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.72 -36.03 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.5 m -111.18 138.06 48.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.1 ttm -51.77 -42.43 62.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -50.16 -39.7 44.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.6 -35.75 72.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.5 -20.08 65.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -99.91 11.39 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -112.38 22.21 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.1 pt -131.24 158.01 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -106.21 177.02 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -50.86 -62.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.8 p -51.47 -44.0 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.203 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -59.24 -35.44 73.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.6 tp -71.4 -50.71 29.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 51.0 mt -70.38 -16.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -94.43 -31.81 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 64.1 t -92.71 -61.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.7 -27.4 63.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.53 42.57 27.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.32 -57.35 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 51.47 46.64 26.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.2 tp -149.31 116.6 6.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 68.0 mt -50.74 -49.21 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.45 -73.92 0.33 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -52.02 -34.83 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -63.5 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -41.12 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -54.42 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 53.7 mt -62.02 -46.68 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.5 tp -51.61 -42.43 61.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.01 -37.89 64.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 p -59.26 -40.1 84.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.3 mt -80.83 -48.5 12.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.41 51.69 3.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.537 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -52.57 -58.3 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.86 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.748 0.309 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -95.06 130.55 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.23 131.78 54.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.14 -47.18 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.48 -36.71 85.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.91 -52.08 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -62.25 -48.66 78.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.73 -49.26 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.39 -34.99 77.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 t -65.83 -46.99 76.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.1 pt -75.19 -24.74 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.2 -107.02 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.6 mt -154.61 158.42 32.25 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.599 0.714 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 73.47 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -119.52 -23.07 6.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -118.41 16.07 13.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.949 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -63.14 -52.69 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -54.74 -51.37 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.27 -55.57 29.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -60.28 3.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.3 ttt -51.21 -56.77 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.54 -22.86 47.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -93.35 18.62 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.39 -23.71 26.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -77.86 64.88 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -95.9 -21.68 17.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -132.93 128.75 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.1 t -54.96 -25.84 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -59.27 -21.99 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.86 -19.52 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 36.3 mtt -85.2 4.94 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.19 124.28 27.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t 61.67 38.33 15.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -174.57 174.73 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 m -152.68 134.7 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.4 mtp -51.98 157.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -144.49 177.11 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.49 -40.4 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -52.87 -63.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.9 -45.71 78.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -51.92 -55.74 18.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -22.53 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -76.29 -27.46 56.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.7 mt -81.26 -71.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.58 46.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.82 -26.49 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 111.166 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.26 -15.85 58.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -50.2 -39.76 45.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.04 -65.92 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.98 64.11 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -126.81 8.63 6.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.798 0.333 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -57.22 -61.03 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -50.16 -47.69 54.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -54.06 -65.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.2 mt -52.58 -41.46 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.59 -54.13 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -59.3 -40.08 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.76 -62.65 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -55.76 -29.14 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.095 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -76.01 -37.02 58.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -78.34 -22.3 48.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.5 mt -51.49 158.37 1.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.699 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -22.47 31.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.37 41.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.2 mmm -151.01 167.51 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.78 159.83 2.43 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.593 0.711 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -13.1 34.1 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.662 2.242 . . . . 0.0 112.386 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.7 mm -51.77 -38.73 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.3 -103.26 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.2 t60 63.13 43.23 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -111.72 158.02 19.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.65 -122.69 5.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.526 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.23 117.4 26.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.335 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -135.82 72.04 62.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.733 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 112.47 3.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.62 2.213 . . . . 0.0 112.323 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.0 p -148.87 174.99 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.7 m -82.91 165.8 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.1 t -51.87 -44.79 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.33 -61.84 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -56.83 -23.89 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -72.98 -63.08 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.44 -24.31 67.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -56.5 -31.73 64.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -93.65 18.52 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.0 mt -133.54 26.02 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.53 21.29 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.0 mt -125.64 125.97 43.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.31 -40.24 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.69 -40.94 63.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -54.01 -30.92 49.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.7 m -50.01 -34.5 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -64.43 -57.87 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.54 88.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -56.82 -46.24 81.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.14 -62.03 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 pt -52.86 -29.11 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -69.35 -33.9 73.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.01 13.73 4.86 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -86.11 98.55 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.93 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.6 p -111.51 -39.53 4.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.1 m -103.5 122.35 44.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 23.3 ttm -51.99 -38.44 56.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -50.13 -36.66 30.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.4 mt -57.61 -38.13 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.5 mt -57.62 -22.72 47.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -68.96 -31.06 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -93.8 19.28 9.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.8 mm -101.65 130.67 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.14 -179.57 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.4 -60.93 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 p -50.76 -42.91 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -64.6 -38.83 92.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -43.73 89.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 37.7 mt -77.38 -21.98 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -87.83 -22.67 24.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 89.6 t -104.79 -60.77 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.87 -41.94 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm 64.3 37.51 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.6 mp -52.15 -49.73 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 55.07 40.85 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 tp -147.3 124.25 11.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 61.6 mt -64.48 -42.65 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.38 -55.96 27.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -64.67 -58.23 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -34.89 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -45.18 60.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -55.97 -49.58 73.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.2 pt -71.23 -38.19 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.05 -49.85 75.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.23 -37.38 72.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 t -62.63 -46.22 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 62.4 mt -71.87 -55.82 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 137.6 150.53 5.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -142.37 171.58 13.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -156.32 162.09 40.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -141.18 132.25 26.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.3 t -55.94 -36.38 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.59 -58.75 12.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -61.89 -51.45 68.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 63.0 t90 -53.61 -61.39 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 tp -51.89 -44.42 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -59.5 -36.23 75.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 t -69.86 -57.52 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.0 pt -60.0 -25.69 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.173 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.85 -104.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.0 mt -155.87 156.95 31.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 72.74 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.729 2.286 . . . . 0.0 112.3 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -124.4 -33.59 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -101.15 -3.63 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.24 -53.21 37.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -50.28 -62.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -41.96 63.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.61 -68.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.5 ptp -55.35 -42.83 74.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.81 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -95.92 19.74 11.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.53 -21.84 36.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -77.87 70.43 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.98 -19.83 13.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -115.39 120.53 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -50.8 -27.78 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -52.34 -41.57 63.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.28 -23.97 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 41.0 mtt -74.44 -33.47 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.14 -122.58 12.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 m -109.47 -59.45 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.829 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -126.35 25.86 6.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.16 -67.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.0 tpp -51.24 107.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -107.09 169.84 8.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -57.59 -44.47 85.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -55.22 -39.27 69.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.88 -59.34 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -27.75 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.66 -35.54 20.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -67.04 -31.92 72.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.5 mt -56.75 -74.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.82 38.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.536 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 mm -80.96 145.69 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.17 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -75.34 178.03 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.4 p30 -97.33 27.68 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.4 m -66.51 -65.1 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.27 47.44 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -110.89 -12.97 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 mtp85 -51.61 -60.83 2.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -54.58 -48.23 72.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -51.45 -55.92 16.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.3 mt -58.09 -44.22 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.0 -67.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -50.14 -36.34 29.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -55.75 28.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.23 -35.68 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.53 -27.36 60.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 tt -89.58 -16.99 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.1 mt -50.44 148.36 6.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -170.18 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.727 2.284 . . . . 0.0 112.371 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 51.33 57.39 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -72.35 -12.06 60.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 63.12 71.09 0.68 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.633 0.73 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -30.57 22.39 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.718 2.279 . . . . 0.0 112.381 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.28 -30.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.55 169.76 39.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -98.01 -49.1 4.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.32 . . . . 0.0 110.769 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -138.7 176.96 8.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 167.9 101.0 0.15 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.395 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -114.76 178.04 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.358 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -134.88 160.8 67.07 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.586 0.708 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 105.82 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 p -153.27 -178.17 6.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -78.77 167.02 21.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.1 t -53.46 -39.03 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.96 -65.26 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.56 -45.39 63.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -56.78 -63.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.31 -23.41 48.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.46 -21.65 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -102.67 -14.64 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.4 mm -88.02 8.49 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.79 13.03 9.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.95 179.13 4.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.72 -52.54 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.443 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -50.83 -37.31 42.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -53.27 -30.79 40.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.1 m -46.73 -34.87 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -64.74 -53.36 48.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.16 75.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -57.92 -39.94 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -69.54 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 24.6 pt -51.52 -30.44 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.78 -30.13 45.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.22 49.96 1.51 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -101.55 26.23 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.042 0.449 . . . . 0.0 110.987 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -63.04 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 t -51.54 128.36 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.3 tpt -60.72 -56.31 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -49.49 -29.99 7.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.01 -43.3 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.1 mt -62.79 -27.63 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -96.62 5.2 51.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -103.81 13.56 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.7 pt -125.96 -177.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.66 177.41 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.43 -63.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.809 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.5 p -48.65 -44.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.86 -48.36 73.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.67 -37.56 87.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.0 mt -75.08 -19.73 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.28 -16.73 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.6 t -105.01 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.86 -24.08 28.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.994 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 61.69 49.9 4.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.4 mt -88.16 94.25 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -91.02 -35.1 14.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.11 118.54 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 73.4 mt -51.75 -52.21 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.09 -71.5 0.61 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -51.54 -38.13 52.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -61.37 -72.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.68 -42.48 34.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -54.18 -63.66 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.5 -51.72 69.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.2 tp -50.78 -39.21 51.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.65 -48.13 60.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.035 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -42.48 75.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.77 -55.69 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 139.63 141.16 4.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -88.99 159.49 17.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.783 0.325 . . . . 0.0 110.822 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -161.72 175.95 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.12 136.58 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.4 t -49.85 -40.91 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.27 -42.18 97.18 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.61 -53.92 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -57.39 -45.75 84.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.6 tp -63.38 -48.55 77.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.36 -33.9 71.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.0 t -70.37 -53.63 15.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.7 pt -64.85 -24.76 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.14 -103.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 mt -151.86 159.07 33.64 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 80.38 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.266 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -129.02 -38.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -90.18 -4.98 56.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -52.3 -46.92 66.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -61.78 -50.88 70.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -60.29 4.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -50.04 -56.09 12.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.8 mtp -51.14 -54.15 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.98 -22.35 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -90.64 13.49 15.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.86 -18.65 52.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -81.29 58.35 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -91.35 -21.79 20.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -120.58 125.42 47.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.7 t -51.69 -38.21 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -57.64 -32.58 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.78 -25.95 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.4 mtt -52.52 -36.5 55.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.12 -88.66 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -52.09 170.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -80.23 -17.77 51.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.0 t -143.69 143.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.14 145.27 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -86.67 140.96 29.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -52.06 -41.4 62.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -52.63 -51.36 60.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.21 -49.97 69.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.9 tp -50.0 -50.74 46.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 tp -70.16 -31.82 69.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -68.27 -30.77 69.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.8 mm -51.71 -59.97 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.92 -13.71 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.553 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.9 mt -50.28 119.89 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.199 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.8 mt -56.36 179.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -95.09 24.4 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.9 m -56.09 -53.76 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.26 41.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -112.06 -18.56 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.96 -61.86 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.25 -36.22 81.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -58.83 -62.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.58 -49.29 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.9 -51.48 65.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -56.84 -45.01 82.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.65 -62.83 1.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 tt -52.33 -27.8 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -78.13 -39.52 40.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.0 -5.96 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 7.6 mt -46.67 -59.69 4.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.71 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 54.2 Cg_endo -69.76 94.53 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.644 2.229 . . . . 0.0 112.413 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -76.93 -59.85 2.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.9 mtt -144.81 166.61 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 58.93 72.43 0.83 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.522 0.677 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 89.89 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.576 2.184 . . . . 0.0 112.376 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.2 tt -67.41 137.93 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.88 65.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -110.04 27.94 9.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.31 130.81 42.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.04 130.75 5.14 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.64 177.58 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -158.03 160.45 29.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 87.39 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.682 2.254 . . . . 0.0 112.316 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.1 p -136.2 173.15 12.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -79.94 170.92 15.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.76 -36.23 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.15 -69.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -54.34 -32.88 57.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -61.23 -52.17 65.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.83 -24.6 61.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.15 -27.3 61.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -98.32 18.14 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.8 mt -133.23 7.56 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 69.27 17.98 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.63 143.72 44.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.91 -46.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -51.43 -36.91 45.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -53.87 -28.91 38.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.3 m -49.25 -34.84 16.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.182 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -65.02 -58.81 5.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.13 78.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -56.13 -43.82 78.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.07 -59.91 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.0 pt -57.69 -28.13 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -74.07 -18.94 60.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.35 40.56 6.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -95.87 25.83 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.88 0.372 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.5 p -51.23 -35.22 35.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.95 121.68 40.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.9 ttm -56.47 -24.74 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -49.81 -43.4 48.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mp -59.32 -33.33 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.9 -20.78 65.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -112.1 16.36 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -130.14 24.97 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.7 pt -133.68 151.91 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -107.29 -178.24 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.3 -56.29 19.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.8 p -50.91 -43.52 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -63.01 -40.51 97.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.4 tp -64.1 -41.74 97.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.1 mt -79.82 -19.46 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -91.32 -19.05 23.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 82.3 t -109.51 -57.8 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -85.32 -30.96 23.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.1 mttp 64.64 51.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 56.6 mt -88.59 92.77 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -85.87 -28.01 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.6 tp -60.82 124.07 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 52.2 mt -58.02 -51.9 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -49.96 -70.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -50.03 -40.25 44.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -66.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -53.64 -46.48 70.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -49.87 -63.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 64.1 mt -58.31 -46.57 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.6 mt -51.74 -43.86 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.18 -32.38 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.64 -41.93 99.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.09 -41.39 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.89 141.35 3.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.56 120.12 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.915 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.764 0.316 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -107.17 146.97 30.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -112.96 133.06 55.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.4 t -54.33 -32.51 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.39 -57.96 13.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -44.33 94.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -62.68 -55.79 23.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 tp -58.26 -30.94 66.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -79.67 -28.31 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -80.7 -27.14 37.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.2 pt -97.26 -31.08 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.97 -109.93 0.97 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -152.87 159.63 32.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.554 0.692 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.9 19.68 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.746 2.297 . . . . 0.0 112.325 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -63.12 -16.1 58.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -113.96 -8.94 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -51.59 -58.15 7.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -51.4 -40.33 59.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -58.0 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.76 -60.8 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -52.5 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -24.47 65.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -93.08 18.14 9.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.85 -21.58 35.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.38 72.9 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.53 -23.1 11.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -122.62 125.01 44.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.98 -27.34 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -58.4 -26.82 63.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.13 -25.37 45.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.71 29.33 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.85 -73.75 0.47 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.423 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.7 m -75.75 -52.32 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.806 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -71.23 -171.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.0 p -156.68 123.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ttm -51.87 103.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -88.33 -179.42 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -55.72 -40.63 72.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -51.85 -60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.44 -43.86 93.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tp -50.63 -44.43 57.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 tp -78.75 -29.55 45.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.98 -37.14 85.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.0 mm -61.5 -73.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.04 46.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.76 106.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.89 104.08 10.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -161.77 -176.41 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -122.59 90.13 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.93 -21.49 3.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -81.24 -37.84 27.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -52.65 48.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -64.92 -31.74 73.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -61.52 -61.65 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.29 -44.58 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.03 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.4 mt -53.8 -65.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -56.29 -37.45 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.34 -71.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 tp -53.21 -27.99 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -74.71 -33.8 62.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.6 mt -91.01 -11.48 38.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 6.8 mt -50.12 -60.1 5.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 53.3 Cg_endo -69.78 -21.62 33.13 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.262 . . . . 0.0 112.309 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -66.31 -28.37 68.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.5 ttm -108.73 -25.99 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -139.23 73.35 37.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.09 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 tt 39.73 38.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.18 150.16 51.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -148.89 153.96 38.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -123.3 170.12 10.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.43 147.05 5.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.551 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.33 94.03 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 111.072 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -127.77 159.36 66.67 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 117.38 5.05 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -150.07 163.36 38.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -112.37 178.97 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.5 t -53.53 -36.39 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.053 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.74 -69.95 0.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -51.66 -34.01 36.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 13.6 t90 -63.63 -59.3 4.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.68 -34.06 73.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -52.98 -44.35 67.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -64.95 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.1 mt -95.5 30.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 51.45 30.48 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 66.3 mt -130.33 128.88 42.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.32 -46.11 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.542 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.82 -39.04 65.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -50.57 -31.25 15.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.1 m -50.35 -41.04 50.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.185 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -51.11 71.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.06 78.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -55.47 -46.67 76.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -59.75 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.0 pt -57.7 -25.13 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -81.34 -17.7 48.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.23 37.5 5.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.533 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -96.09 34.53 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.96 0.41 . . . . 0.0 110.94 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.48 -67.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.158 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.95 159.11 9.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -99.21 -37.13 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -57.38 -34.95 69.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.7 pp -60.02 -24.83 64.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.4 -18.0 56.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -101.19 20.57 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -28.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.4 pt -81.48 152.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -108.67 178.91 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -62.49 1.6 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.52 -45.47 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -55.28 -43.79 75.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.6 tp -67.94 -36.3 79.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.5 mt -77.41 -17.79 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.84 -19.45 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.2 t -103.62 -56.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.26 -19.24 34.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 63.94 33.79 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 83.6 mt -82.18 93.08 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -98.18 -29.78 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.1 tp -51.97 129.5 27.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 9.4 mm -59.22 -55.15 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.08 -58.45 8.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -59.59 -45.96 90.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.31 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.54 -67.63 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.37 -42.75 61.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -51.66 -61.74 2.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.4 mt -61.77 -44.38 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 tt -51.69 -40.99 61.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.45 -33.18 42.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.111 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 36.2 t -65.07 -31.5 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.08 -41.27 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 140.11 134.1 3.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.98 -26.39 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.785 0.326 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -142.66 158.58 43.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.71 123.76 48.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 89.8 t -52.52 -38.83 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.36 -38.34 93.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -68.15 -48.18 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -63.88 -46.6 84.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 tp -63.25 -41.83 99.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -66.56 -40.13 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -64.81 -47.17 79.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.5 pt -72.86 -26.81 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.21 -104.24 0.22 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.5 mt -155.12 156.44 31.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 79.19 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.383 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -125.53 -37.95 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -99.4 19.12 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.2 -59.18 4.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -54.21 -46.3 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -57.15 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.51 -59.48 4.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -53.71 26.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -23.36 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.043 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -91.67 14.53 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 -21.07 43.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -78.29 67.37 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.93 -23.35 16.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -128.18 122.18 31.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.6 t -52.09 -29.12 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -57.01 -25.32 58.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.24 -29.99 59.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ptp -108.06 25.65 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.54 -64.12 3.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.1 m -75.38 -35.3 61.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 0.0 110.871 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -118.45 94.43 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.5 m -56.43 147.46 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.9 ttm -57.47 156.23 8.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -129.85 165.83 21.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -54.47 -40.01 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -51.92 -59.17 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -61.52 -43.07 99.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 tp -50.75 -44.01 58.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.7 tp -85.86 -21.3 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.78 -33.25 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.2 mt -66.24 -74.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.056 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.16 57.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.3 mp -134.69 107.31 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 mt -57.07 167.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -86.89 171.65 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t 57.62 37.85 27.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.51 -90.4 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -106.5 -6.96 17.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -51.7 -58.73 5.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -55.91 -40.97 73.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -56.6 -68.75 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.0 mt -51.18 -46.7 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -54.04 -56.98 12.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.59 -38.98 67.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.36 -49.02 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.3 mm -58.08 -39.14 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -79.14 -27.16 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.19 -20.49 41.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.9 mt -49.5 108.14 0.92 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.68 0.753 . . . . 0.0 110.936 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 79.49 0.94 Allowed 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -128.39 137.5 51.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.7 mtp -123.43 172.84 8.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -117.44 68.93 5.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.591 0.71 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -35.21 12.94 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.8 pt -144.69 140.13 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -166.42 143.31 8.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.539 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -69.66 123.64 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -110.87 -32.95 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -78.17 175.14 54.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.47 124.65 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.345 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -98.26 160.7 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.605 0.717 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 78.67 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.317 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.3 p -118.49 160.14 22.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -99.52 170.25 8.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 100.0 t -51.47 -36.16 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.02 -58.19 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -51.68 -33.89 36.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -72.82 -58.89 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.97 -20.17 36.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.53 -31.28 45.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 t -90.07 -17.2 28.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.6 mm -92.34 18.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 40.84 38.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.3 mt -129.05 45.15 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.71 62.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -52.04 -45.31 64.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -30.78 47.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -48.71 -34.46 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -64.42 -54.25 35.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.46 83.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -56.11 -46.04 79.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.13 -62.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.4 pt -53.33 -30.5 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -69.24 -32.62 71.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.79 11.32 7.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -83.95 98.03 9.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.001 0.429 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.89 -58.25 2.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.8 m -105.0 147.91 27.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -33.31 32.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -41.72 60.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.18 -31.53 70.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.4 mt -65.09 -19.17 65.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -95.43 -1.84 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -98.87 23.63 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.3 pt -136.75 153.12 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.51 179.22 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -51.03 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.8 p -51.68 -43.25 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -55.2 -39.61 69.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.0 tp -75.46 -53.3 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.955 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.41 -17.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -97.27 -56.21 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.57 -55.94 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.26 -16.93 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.8 mttm 53.52 44.84 29.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 33.4 mt -81.23 -70.32 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.7 t30 57.28 34.81 25.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.5 tp -128.99 134.42 48.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 44.9 mt -68.03 -50.88 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -54.12 -47.74 66.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -68.16 -59.93 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.813 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -27.84 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.6 tptt -75.08 -61.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -54.74 -34.72 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 75.8 mt -73.77 -52.98 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.12 -34.78 73.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.26 -51.04 19.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -56.49 -42.52 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 39.4 mt -75.15 -42.76 55.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 113.72 164.93 15.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.55 161.89 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.788 0.327 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.809 0.338 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -73.15 171.75 12.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.33 147.38 47.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 t -59.13 -47.02 91.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.04 -52.58 50.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -62.83 -54.66 35.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -55.43 -61.18 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 tp -51.23 -41.32 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.85 -33.97 77.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -73.37 -52.47 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.775 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.9 pt -68.03 -24.79 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.56 -113.4 0.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.92 160.4 31.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 89.18 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -142.44 -42.38 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -92.94 11.96 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -62.61 -45.87 90.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -59.02 -50.51 73.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -56.0 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.11 -63.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 ttt -51.86 -49.64 62.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.28 -25.82 64.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -93.17 20.06 7.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.99 -14.99 55.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -81.15 54.11 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -81.98 -26.49 33.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.49 112.18 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.42 -32.72 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -56.01 -23.21 31.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.73 -29.99 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.1 mtt -64.34 -38.88 92.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.32 -124.12 17.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.5 p -73.5 -34.49 65.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.354 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -65.15 177.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -145.35 128.74 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.72 123.51 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -111.88 -176.41 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -61.92 -35.89 79.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -52.42 -62.12 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.97 -41.32 95.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 tp -49.74 -43.81 48.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.36 -24.56 24.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -65.08 -32.76 74.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.7 mt -67.58 -74.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.74 38.26 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.7 mt -100.9 145.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.9 177.08 5.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -95.78 28.21 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.8 t -59.4 -35.57 74.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.779 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.94 -25.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.438 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -66.78 -23.55 66.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.3 ttp85 -50.84 -59.19 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -61.33 -30.93 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -60.09 -64.48 0.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.02 -38.06 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.41 -66.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.39 -39.92 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.05 -65.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.9 tp -57.34 -20.97 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -87.28 -26.18 23.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.91 -8.38 28.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.6 mt -47.26 154.12 0.84 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.67 -170.82 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.658 2.239 . . . . 0.0 112.414 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -140.45 108.54 5.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.1 mmm -51.37 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -160.79 160.69 25.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -18.21 37.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.363 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.3 mp -76.74 128.66 37.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.45 43.98 1.08 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -113.01 150.43 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -77.95 144.81 36.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.81 -41.29 63.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.21 171.52 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 0.0 111.09 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -100.29 138.52 20.24 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.613 0.721 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.26 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 m -66.93 -58.73 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 t -135.89 176.19 8.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 t -53.86 -35.9 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -64.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -51.77 -31.14 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 7.6 t90 -72.35 -61.03 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.23 -22.2 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.74 -24.74 51.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 m -92.47 -15.83 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mm -92.97 18.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 58.1 22.31 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.9 mt -123.9 143.1 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.1 -48.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -56.02 -32.45 64.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -54.05 -30.09 46.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.7 m -49.98 -34.37 20.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -62.72 -53.06 60.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.99 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -56.96 -44.55 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.26 -61.4 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.7 pt -54.84 -29.99 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -71.02 -27.21 63.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.69 33.6 4.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -95.52 35.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.988 0.423 . . . . 0.0 110.934 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 36.1 p -63.68 -29.3 70.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -88.5 141.21 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 tpt -69.27 -56.89 6.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.01 -30.17 14.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.2 tt -53.63 -40.78 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 71.6 mt -62.78 -25.23 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -97.05 14.34 25.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -119.88 27.34 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.9 pt -135.14 150.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -97.94 173.05 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -50.93 -40.63 57.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.63 -43.68 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -57.0 -39.28 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.1 tp -75.0 -54.37 7.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 40.3 mt -59.37 -20.08 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -94.11 -56.1 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.81 -58.65 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -73.11 -16.29 61.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt 52.19 52.34 14.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 68.7 mt -86.31 -50.65 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.9 p30 41.97 39.42 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.7 tp -132.35 118.12 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 65.3 mt -50.71 -50.47 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.36 -73.09 0.4 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -51.46 -45.69 62.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -51.41 -60.85 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -52.34 -49.34 64.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -53.18 -65.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 54.1 mt -52.58 -54.15 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.6 mt -53.17 -30.69 38.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.12 -47.95 39.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 82.1 p -58.75 -48.26 81.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.81 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.57 -42.76 67.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 105.22 132.73 7.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -74.68 168.13 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.737 0.303 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.2 ptt85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.854 -179.884 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.753 0.311 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -154.75 152.45 29.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -134.21 143.37 47.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.55 -36.36 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.74 -56.79 23.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -64.59 -49.87 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.0 t90 -54.22 -53.16 57.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 tp -65.77 -31.31 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -72.42 -26.71 61.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -82.63 -50.46 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.6 pt -73.04 -30.05 30.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.95 -119.43 1.01 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mt -139.39 159.04 67.54 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.679 0.752 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.13 25.35 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -53.86 -27.93 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -97.86 -16.07 19.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -51.73 -49.08 63.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -53.27 -47.36 69.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -62.09 -53.74 51.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.82 -63.44 1.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.1 ttm -50.71 -51.62 48.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.45 -25.65 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.058 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -93.91 20.36 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 -20.41 37.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -78.4 69.4 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.8 -22.31 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -114.39 130.2 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.2 t -57.35 -31.98 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -54.79 -25.88 30.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.82 -27.12 27.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.77 29.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.04 -51.85 5.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 p -88.42 -46.67 8.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.832 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -108.81 103.51 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.6 m -63.47 131.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.2 ttm -51.88 121.65 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -88.56 174.99 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.59 -36.17 73.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -54.29 -59.22 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.27 -51.13 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.8 tp -49.65 -40.21 38.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.2 tp -82.81 -25.35 32.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -73.28 -32.72 64.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.4 mm -52.17 -71.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.23 -32.01 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mp -53.53 114.42 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.43 127.77 21.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 m120 53.93 37.53 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 m -111.76 8.02 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 52.01 30.59 30.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -113.72 -11.37 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.748 0.309 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -62.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.43 -41.35 63.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -55.48 -67.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.2 mt -57.87 -28.14 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.5 -72.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -57.24 -29.4 63.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.94 -45.12 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 tt -85.78 -8.13 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -96.48 -29.93 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.33 -38.07 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 61.34 157.74 0.11 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.561 0.695 . . . . 0.0 110.927 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -25.9 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.426 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -84.96 121.43 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 31.1 ttm -83.77 -38.17 21.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -118.31 70.62 8.6 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.613 0.721 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.89 -179.46 2.99 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.606 2.204 . . . . 0.0 112.32 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.8 tt -95.76 -25.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.207 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.93 -137.46 17.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -114.18 155.05 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -71.78 -53.0 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.4 165.72 10.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.27 168.62 10.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -168.05 139.14 2.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.643 0.735 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.45 4.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 t -158.76 172.26 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -64.36 157.41 26.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.51 -43.5 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.42 -62.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -51.33 -33.5 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -68.79 -62.14 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.2 mt -57.76 -22.53 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.78 -17.76 57.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.8 p -106.3 -13.59 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.4 mm -88.5 10.24 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 66.24 18.88 11.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.33 179.25 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.973 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.49 -54.42 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -49.76 -43.57 48.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -49.97 -31.36 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.4 m -46.86 -42.19 16.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 93' ' ' ALA . 19.5 pttt -64.11 -43.25 95.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 92' ' ' LYS . . . -66.92 -51.4 55.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -56.44 -43.29 79.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.18 -60.04 3.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 pt -57.91 -23.69 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -76.68 -27.13 55.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.06 2.42 22.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -74.07 97.71 2.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.88 -25.82 9.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -123.99 129.83 51.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.6 ttm -51.85 -33.61 37.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.47 -39.34 33.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.1 mt -58.06 -37.47 74.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.94 -21.67 58.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.0 -29.44 68.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -97.88 24.37 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.27 129.88 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.03 178.35 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -57.15 -68.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.1 p -49.23 -46.38 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.96 -40.99 74.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.1 tp -68.97 -36.84 78.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 54.2 mt -78.34 -17.31 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -98.75 -21.44 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 90.1 t -103.69 -55.72 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -87.14 -26.86 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? 64.48 44.64 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.5 mt -86.65 101.06 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -97.94 -34.78 10.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.5 tp -52.48 132.9 35.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 58.8 mt -69.78 -40.54 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.11 -46.42 93.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -69.66 -50.79 40.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -30.96 69.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -73.54 -56.21 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -53.46 -44.02 68.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 87.4 mt -68.5 -54.95 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.29 -41.21 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.67 -52.27 46.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.68 -44.04 62.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.3 mt -69.86 -53.85 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 112.24 114.35 3.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -59.63 168.59 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -116.18 164.85 13.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.52 130.38 40.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.5 t -51.05 -39.69 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.61 -46.31 94.01 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.57 -54.98 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -56.12 -48.51 76.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.7 tp -62.08 -36.25 81.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.11 -30.85 67.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -74.75 -43.25 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 pt -77.88 -31.01 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.75 -125.45 1.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -133.31 156.11 80.15 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 68.96 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -120.77 -15.62 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -122.08 0.09 9.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -51.8 -54.74 25.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -55.74 -49.97 71.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -52.69 61.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -57.37 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.2 mtt -54.76 -54.42 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.77 -23.68 60.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -90.2 13.55 14.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.82 -22.38 39.64 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.455 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -80.72 65.26 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -97.87 -20.71 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -118.52 120.31 37.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.6 t -51.08 -33.26 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -51.54 -30.23 19.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.75 -25.68 19.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.8 mtt -78.86 -30.92 45.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.5 -50.16 54.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.05 -38.45 57.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -161.6 119.8 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t -52.6 126.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.2 mtp -52.6 121.49 7.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -97.03 176.28 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -33.25 75.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -58.34 -62.19 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -62.36 -42.07 99.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.2 tp -57.69 -45.05 86.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 tp -79.57 -21.35 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -75.91 -35.84 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 mt -58.95 -71.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.7 35.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.9 mm -109.17 44.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.7 -30.87 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.34 101.88 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -53.43 130.18 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.11 -25.76 1.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -115.67 -22.44 9.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttp-105 -50.59 -58.04 6.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.62 -45.12 85.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -57.79 -64.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -51.64 -35.05 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.6 mt -66.98 -52.29 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -60.62 -39.63 88.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.27 -58.9 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.15 -27.2 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -77.92 -37.4 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.86 -8.51 54.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.482 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 6.9 mt -47.34 -60.21 4.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 110.975 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 54.1 Cg_endo -69.69 77.78 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.401 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -97.92 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 33.3 mtt -89.29 -49.15 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -56.91 159.77 6.91 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 178.32 4.66 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.25 . . . . 0.0 112.378 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 39.3 pt -103.76 176.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -69.4 118.86 8.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -141.34 162.17 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -84.88 178.15 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.02 -22.64 0.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.08 163.71 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -124.24 70.08 52.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 139.22 39.58 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.6 p -111.34 -28.97 8.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.4 m -153.27 167.39 29.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.9 t -51.82 -37.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.14 -58.08 7.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -68.78 -12.38 61.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -84.29 -42.27 15.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.5 mt -88.2 -44.55 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -59.54 -21.06 59.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 t -94.64 8.62 41.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 86.5 mt -113.81 -71.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -150.36 -65.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.4 125.64 51.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.58 -4.41 58.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -54.98 -40.49 70.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -53.38 -27.83 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.5 m -46.64 -34.42 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -62.03 -54.59 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.5 89.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -55.92 -48.01 76.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.81 -63.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.3 pt -52.11 -29.08 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -71.28 -34.41 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.99 0.16 7.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -74.05 97.83 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.2 p -114.05 -26.82 7.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.189 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 m -107.27 138.62 43.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.0 tpp -59.58 -54.27 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -50.72 -33.15 21.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 tt -55.99 -39.43 71.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.09 -24.06 66.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -83.92 -13.91 52.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -80.96 -29.02 35.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.3 pt -81.74 156.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -106.77 179.27 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -53.29 -65.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -50.45 -42.83 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -53.33 -53.58 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.81 -26.61 66.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 42.1 mt -76.47 -24.1 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -101.2 -18.34 16.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 72.4 t -96.8 -54.16 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.86 -14.25 42.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp 59.93 43.81 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.3 mt -93.17 109.42 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.37 -28.91 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.6 tp -51.19 139.48 18.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 14.3 mm -61.6 -66.99 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -44.48 -61.42 3.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -50.52 -54.96 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -51.15 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -52.32 -36.39 53.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -58.33 -63.18 1.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 22.6 mt -63.74 -50.31 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 tp -49.93 -48.18 51.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.35 63.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.5 t -64.43 -40.98 96.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.1 mt -87.12 -55.24 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.59 170.42 16.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -115.21 147.18 40.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.848 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.778 0.323 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -106.18 153.03 22.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -127.53 132.08 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -51.04 -45.58 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.59 -42.1 83.52 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.417 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -67.89 -52.74 32.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 41.0 t90 -57.69 -53.4 58.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.7 -48.91 78.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -56.66 -38.34 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.7 t -65.99 -56.68 10.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.1 pt -61.67 -24.22 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.34 -101.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.552 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.01 160.07 29.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 83.53 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -137.52 -47.52 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -84.7 -9.21 58.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -51.93 -41.19 61.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -59.44 -59.35 5.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -53.25 41.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.81 -63.24 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt -50.08 -55.54 14.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.26 -25.23 47.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.41 21.02 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.88 -24.23 19.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.14 73.58 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -109.58 -20.69 12.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -118.46 130.83 56.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.39 -33.48 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.49 -26.16 41.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.48 50.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.053 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.36 32.89 5.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.21 -62.15 1.93 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 t -71.39 -44.06 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -112.29 96.7 6.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 m -54.51 141.34 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 167.49 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -152.14 171.3 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -59.08 -36.63 75.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -50.15 -59.77 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.21 -37.31 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.808 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -44.07 59.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.1 tp -86.12 -32.87 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -63.44 -25.88 68.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.801 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.1 mt -81.06 -74.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.48 88.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.3 mt -145.57 97.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.16 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.3 tp -119.03 -11.04 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -58.42 99.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t 56.98 24.0 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 51.47 78.13 0.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.427 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -82.89 0.57 43.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -54.79 -47.95 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -61.44 -49.39 77.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -53.09 -63.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.6 mt -54.14 -39.83 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mt -56.71 -67.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.26 -32.56 56.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.15 -68.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -53.64 -28.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -79.11 -33.23 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.6 mt -83.11 -19.49 36.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.9 mt -52.51 158.2 2.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.964 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -170.67 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.63 2.22 . . . . 0.0 112.363 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -97.89 142.15 29.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -108.32 96.97 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.95 142.73 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -170.09 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.232 . . . . 0.0 112.311 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 tt -92.41 127.1 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.52 -49.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t60 63.57 50.94 2.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -158.66 145.82 17.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.71 -84.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.427 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.35 -178.47 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 111.095 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -112.74 76.73 2.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.558 0.694 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -49.33 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.3 p 50.03 31.04 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -160.17 134.29 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.796 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -51.6 -49.94 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.58 94.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.96 -24.92 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -87.07 -41.76 13.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.2 mt -75.71 -29.33 58.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.22 -48.61 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.3 t -62.95 -16.97 61.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mt -103.2 29.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 51.15 30.2 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.3 mt -127.55 128.01 44.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.26 -45.7 0.13 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -50.16 -43.85 52.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.79 0.328 . . . . 0.0 110.821 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -49.24 -35.96 18.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.1 m -46.47 -41.8 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -48.96 78.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.08 -47.27 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -56.5 -42.17 77.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -62.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.4 pt -49.55 -30.08 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -78.18 -33.86 49.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.11 50.0 0.74 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -112.59 22.59 14.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.976 0.417 . . . . 0.0 110.927 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 p -49.39 -54.79 15.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.218 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.85 162.36 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 85.2 mmm -103.43 -44.11 5.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -43.95 -52.38 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.41 -34.36 75.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.18 -11.45 57.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -109.96 3.29 20.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.08 12.83 12.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.7 tt -90.81 165.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -117.79 161.32 19.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -50.55 -60.6 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.28 -40.31 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.9 -42.03 97.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -43.82 83.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 44.0 mt -76.06 -16.93 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -95.64 -21.13 18.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 71.0 t -102.15 -59.24 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.65 -17.14 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 63.89 37.98 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 55.5 mt -81.87 101.08 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -84.08 -29.42 26.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.8 tp -63.34 116.8 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.36 -36.0 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.26 -46.08 94.67 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -69.75 -56.33 7.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -36.5 61.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -71.31 -47.65 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -53.83 -50.25 66.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.6 pt -69.62 -38.87 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.69 -49.95 75.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.98 -32.47 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.9 t -65.65 -48.37 72.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 23.3 mt -73.01 -46.71 50.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 134.48 172.09 12.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.492 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.22 -66.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.865 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 37.0 t . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -61.62 159.76 12.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.1 m -141.62 127.72 19.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 74.7 t -51.1 -34.65 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.29 -57.37 19.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -60.99 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -57.82 -60.67 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 tp -56.04 -32.16 63.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.76 -31.91 65.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t -75.44 -39.63 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 pt -85.53 -20.61 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.24 -126.53 0.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -130.94 157.18 78.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -5.69 16.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.748 2.299 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -27.47 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -107.2 -13.78 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -50.93 -59.11 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -51.08 -41.91 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -59.89 -57.18 13.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mp -51.5 -57.5 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.6 mtp -50.49 -60.32 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -19.24 49.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -92.7 17.53 10.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.16 -24.31 22.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.05 63.72 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -95.93 -27.14 15.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -105.32 122.44 45.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.5 t -52.71 -24.01 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -53.79 -39.15 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.52 -19.94 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.6 mtm -110.27 -6.13 15.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.15 -28.55 18.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -104.47 -175.18 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 110.806 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -91.22 17.06 8.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.39 -37.03 72.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.18 159.6 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -168.61 176.17 5.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.82 -38.14 77.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.39 -46.69 73.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.58 -57.09 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.31 -28.22 11.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.5 tp -85.88 -38.88 17.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -65.92 -25.08 66.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -67.07 -76.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.38 36.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.8 mp -122.58 37.32 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 tp -59.21 -23.17 62.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -54.28 103.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.2 p -53.9 139.32 34.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.62 -25.34 5.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -115.97 -19.15 10.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -60.05 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -59.02 -36.67 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -57.17 -60.63 3.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -59.18 -53.9 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mt -52.31 -64.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -49.99 -39.1 39.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.44 -53.6 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.6 mt -58.58 -39.57 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -23.73 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.3 tp -87.93 -18.89 28.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.7 mt -49.12 157.63 0.8 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -179.25 2.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.21 . . . . 0.0 112.382 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -159.31 93.47 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.4 mtp -129.24 165.44 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -59.4 156.33 31.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 175.69 7.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.322 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -122.76 151.11 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.95 -142.32 15.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.69 141.35 38.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -145.04 155.36 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -174.45 75.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.37 138.85 40.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -118.07 138.5 25.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 110.823 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 83.51 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.748 2.299 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 84.2 m -92.97 -43.99 8.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.0 m -134.41 160.36 38.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 42.1 t -50.72 -33.01 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.98 -56.2 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -71.91 -12.1 61.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -88.08 -37.65 16.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.8 mt -90.45 -30.9 17.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -79.56 -4.51 51.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.3 t -116.4 11.17 14.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.2 mt -113.2 -64.7 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -156.02 -51.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -131.94 133.99 45.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.39 -8.35 41.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.34 -42.98 70.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -52.94 -27.88 20.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.6 m -45.91 -35.19 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -61.02 -54.8 40.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.81 87.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -55.34 -47.65 75.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.7 -62.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.1 pt -53.81 -26.4 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -73.93 -32.69 63.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.58 13.88 5.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -88.02 95.65 10.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.68 -31.8 6.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -99.61 168.96 9.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.1 mmt -83.86 -53.54 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -49.57 -33.89 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.01 -41.3 71.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.49 -22.9 67.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -95.4 4.53 53.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -98.13 -24.53 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.2 pt -86.88 152.87 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -104.06 -177.66 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -52.05 -64.38 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.3 p -50.36 -41.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -59.36 -40.87 87.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.5 -39.28 77.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 39.3 mt -77.44 -17.33 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.93 -21.94 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 89.1 t -104.56 -56.97 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.53 -25.12 28.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt 58.98 47.93 11.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.4 mt -94.37 102.39 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -97.44 -36.71 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.5 tp -51.01 129.18 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 44.7 mt -62.73 -47.86 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.37 -63.62 4.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -57.85 -53.7 55.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -66.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -52.47 -41.47 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -64.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 33.3 pt -61.71 -31.35 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.54 -48.33 81.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.19 -38.94 72.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 p -64.12 -43.69 94.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.29 -51.31 31.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 140.66 123.15 1.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -93.17 140.35 29.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.878 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.72 0.295 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -122.13 160.6 24.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -121.6 137.12 54.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.0 t -50.09 -44.71 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.22 -43.71 84.06 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.25 -57.16 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.7 t90 -53.45 -44.67 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 tp -64.3 -46.18 84.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.58 -30.27 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -75.8 -57.08 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.6 pt -58.15 -32.5 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.98 -114.46 0.36 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.517 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 mt -134.7 159.0 73.83 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.681 0.753 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 75.87 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.406 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -119.59 -29.26 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -101.49 1.56 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.11 -66.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -52.42 -51.65 58.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.36 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -49.65 -55.83 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.97 -60.88 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.51 -20.55 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -91.64 13.86 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.4 -23.7 26.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -77.06 66.86 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.962 0.41 . . . . 0.0 110.839 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -98.41 -22.22 16.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -122.42 127.68 49.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -53.44 -32.32 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -57.72 -27.73 63.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.78 -25.98 43.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -31.23 31.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.49 81.54 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 57.67 28.06 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.828 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 59.84 52.86 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.46 -3.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.95 147.37 5.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.94 176.29 8.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.29 -48.14 82.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -51.67 -39.18 57.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -67.81 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.93 -33.53 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 tp -77.69 -44.89 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.14 -35.52 67.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.8 mt -53.19 -73.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.99 73.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.3 mm -117.97 115.41 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.4 mp -90.18 -70.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -50.62 144.28 8.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 t -80.02 -25.26 40.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.47 -1.21 81.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.71 -56.27 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -39.03 57.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -62.23 -54.27 43.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -54.6 -55.9 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.77 -33.14 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.55 -58.16 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -63.15 -32.78 74.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.71 -40.38 76.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.3 tp -86.65 -12.9 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -97.45 -22.43 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 tt -116.39 -40.56 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 61.2 157.67 0.11 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.606 0.717 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 157.01 61.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.306 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -54.01 -45.14 71.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.501 ' O ' ' C ' ' A' ' 66' ' ' ARG . 23.8 ttm -65.5 162.49 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER 30.19 66.84 0.79 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.74 . . . . 0.0 110.876 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -44.53 2.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.9 tp -154.69 145.95 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.85 -132.81 6.45 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.442 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -128.71 136.18 50.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -95.89 -69.08 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.64 120.04 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.4 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.62 149.89 35.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -168.79 157.21 7.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.527 0.679 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 116.23 4.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -161.72 173.54 14.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 m -74.75 173.8 10.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.77 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.9 t -54.86 -41.37 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.38 -70.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -51.38 -40.05 58.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -57.52 -68.42 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.99 -28.47 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -56.94 -23.62 46.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -100.47 -12.12 19.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.7 mm -90.53 12.35 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 66.89 13.73 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.51 178.4 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.67 -53.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.35 -39.25 45.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -52.83 -32.47 44.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -46.2 -35.73 5.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -65.04 -57.09 9.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.65 -47.28 86.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -56.26 -47.03 79.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.23 -61.07 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.8 pt -56.04 -25.03 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -75.3 -27.17 59.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.48 11.31 15.38 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -80.8 97.91 7.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.961 0.41 . . . . 0.0 110.96 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.64 -48.28 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.196 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.67 137.67 37.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -33.22 74.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -41.88 62.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.98 -30.6 68.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.5 mt -61.63 -24.08 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -93.78 16.61 13.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.29 21.43 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.7 pt -128.75 162.92 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -113.76 177.94 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -53.17 -59.3 4.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -51.2 -42.59 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -60.39 -43.41 96.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.3 tp -65.09 -38.56 91.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 47.9 mt -80.27 -17.56 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.33 -19.05 20.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.1 t -107.68 -55.2 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -90.34 -28.1 18.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 49.38 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 22.8 mt -95.55 97.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -93.07 -21.26 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.9 tp -65.66 118.42 9.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 65.7 mt -54.38 -44.45 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.04 -73.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.547 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -49.12 -52.28 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.723 0.296 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -50.78 -65.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -51.8 -34.99 42.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.43 -66.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.2 pt -62.44 -36.09 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.4 tp -60.27 -59.84 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.94 -30.37 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -67.41 -52.19 42.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.902 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 44.6 mt -69.4 -52.28 28.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.05 -147.45 4.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.93 166.97 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.827 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.893 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -90.56 162.59 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 m -115.69 124.87 51.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.2 t -51.6 -43.4 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.22 70.03 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -58.22 -52.8 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -60.24 -56.04 26.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.2 tp -56.9 -27.67 61.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -76.23 -39.83 53.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 t -67.49 -43.21 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.3 pt -81.1 -30.53 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.37 -107.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -153.03 159.25 32.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -8.23 23.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -54.06 -27.19 30.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -102.34 -13.84 17.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -51.6 -54.28 29.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -51.62 -49.59 61.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -53.6 56.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.798 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.73 -58.98 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.9 ttm -51.03 -56.39 12.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.22 -22.92 53.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.33 19.69 7.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.48 -24.57 22.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -78.29 70.04 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -102.55 -24.96 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -117.58 126.42 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.9 t -57.43 -22.06 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -57.67 -30.11 65.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.57 -25.98 29.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.53 -29.89 52.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.62 -60.94 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -53.46 -47.9 69.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -152.25 108.9 3.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.7 m -53.88 148.42 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.3 mtp -52.16 151.0 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -126.96 170.41 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -50.02 69.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -58.21 -44.56 88.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.85 -66.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 pp -51.28 -31.17 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.7 tp -73.42 -35.38 65.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.74 -30.19 61.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.9 mm -49.66 -67.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.19 39.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.2 mt -105.83 29.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.36 146.92 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 t30 63.55 55.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 p -166.95 163.26 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.49 -1.43 56.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.538 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -58.31 -22.69 53.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.791 0.329 . . . . 0.0 110.812 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -51.58 -58.0 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -55.29 -31.06 61.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -66.0 -58.1 6.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.9 mt -61.42 -33.12 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.78 -62.98 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -59.23 -35.47 73.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.15 -61.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -25.16 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -76.93 -43.9 33.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.81 -15.16 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.477 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 6.7 mt -50.21 -60.4 5.3 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 54.3 Cg_endo -69.74 -37.95 8.52 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.662 2.242 . . . . 0.0 112.403 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -51.64 -36.47 46.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.8 mmm -101.69 116.38 32.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 58.85 70.98 1.04 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 149.42 66.93 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.8 tt -84.54 -31.01 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.89 -136.95 9.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -138.29 143.79 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -132.11 137.94 47.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.19 -153.76 9.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.5 176.43 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -142.52 160.6 53.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 106.72 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.9 p -141.4 176.42 8.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 m -76.85 161.64 28.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.7 t -52.97 -36.03 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.85 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -61.6 -18.07 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -76.64 -51.94 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.0 mt -76.2 -39.71 54.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.33 -25.54 67.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.0 t -89.68 5.24 46.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.9 mt -110.46 -74.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -174.1 -52.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.48 -79.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.07 -54.43 4.23 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -50.28 -41.5 50.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -51.22 -28.14 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.4 m -44.76 -38.18 4.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.81 -59.67 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.38 76.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.06 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -58.49 -53.91 53.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.9 mt -54.41 -57.23 12.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.3 pt -59.15 -27.59 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -73.76 -17.67 61.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.0 12.3 14.42 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -90.07 98.7 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 0.0 110.904 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.41 -20.66 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.7 m -127.25 127.49 44.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.3 ttm -54.37 -32.88 57.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -51.27 -44.75 61.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.9 -31.61 60.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.3 mt -61.97 -19.61 62.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -22.03 60.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -103.25 17.99 22.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.8 mm -99.16 128.6 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -102.97 172.02 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.064 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -54.45 -64.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 p -49.68 -45.89 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.71 -36.66 74.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -39.54 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 40.1 mt -76.38 -20.59 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -91.94 -27.57 17.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.8 t -96.64 -58.38 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.049 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.28 -39.06 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.8 mttt 64.4 47.05 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.8 mt -67.07 -62.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.6 t30 50.15 49.36 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.1 tp -145.53 127.45 15.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.6 mm -52.97 -64.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -44.99 -66.45 1.47 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -49.85 -46.89 51.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.14 -63.82 1.03 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.53 -42.32 54.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -57.94 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.4 mt -63.39 -54.26 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.6 tp -50.51 -31.97 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.47 -47.45 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.4 t -63.89 -26.57 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.7 mt -87.19 -45.17 10.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 88.89 164.81 40.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.496 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -118.14 -31.23 5.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.776 0.322 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.61 -179.61 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 m -152.75 134.14 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -52.35 -49.17 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.46 -41.4 88.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.4 -52.11 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.724 0.297 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 40.8 t90 -61.49 -53.21 59.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.16 -44.29 71.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.79 -36.1 81.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.7 t -65.7 -39.16 90.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.3 pt -82.51 -25.08 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.03 -112.18 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.0 159.19 43.61 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.569 0.699 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 73.28 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.47 2.11 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -137.93 10.07 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.65 -55.53 22.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -56.56 -49.39 74.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.73 -59.17 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mp -50.21 -59.43 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.1 ttm -50.51 -57.03 9.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.63 -23.33 50.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -93.24 20.33 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.91 -24.44 21.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.409 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.23 69.63 4.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.37 -24.49 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -121.39 129.72 53.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 t -59.15 -23.06 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -59.88 -21.92 61.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.62 -20.48 56.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.53 -7.0 48.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.48 139.11 31.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m 52.22 32.66 11.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 110.813 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -168.18 -178.98 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.7 m -148.03 130.31 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.0 ttt -52.15 107.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -79.64 158.69 26.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -53.42 -44.27 68.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.72 -55.76 10.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.58 -50.42 72.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.6 tp -49.04 -53.08 21.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.39 -29.45 68.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -67.3 -31.21 71.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.4 mt -63.54 -74.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.68 52.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.442 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.3 mm -113.62 154.58 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.883 0.373 . . . . 0.0 111.107 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.1 mp -70.5 -177.93 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -63.08 -72.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 m -117.43 29.65 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.77 -80.71 0.84 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -109.54 -7.95 15.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.3 -63.6 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -52.34 -37.66 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 tpt85 -56.74 -63.17 1.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 78.7 mt -59.59 -34.37 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.61 -63.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -57.72 -34.29 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.74 -69.63 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.6 tp -52.46 -28.97 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -79.14 -32.87 44.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.38 -20.55 43.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 37.5 mt -48.5 107.72 0.81 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.986 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -170.54 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.386 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -139.34 114.95 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.9 mtp -96.4 -36.64 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -153.39 70.79 6.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -178.03 2.14 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.74 2.293 . . . . 0.0 112.301 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.6 mm -98.36 141.99 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.42 -63.64 5.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -136.08 131.54 34.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.832 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -83.15 156.78 23.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.16 -111.38 1.71 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 54.79 45.43 26.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -114.21 74.56 2.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -8.76 24.41 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 p -52.06 -68.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -171.52 161.52 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -51.15 -37.63 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.72 -55.76 26.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -70.78 -14.85 62.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 9.6 t90 -81.51 -39.07 25.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mt -91.15 -43.45 9.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -26.89 62.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.0 m -83.67 -12.87 55.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.1 mt -88.09 -72.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -159.78 -54.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.63 123.3 42.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.99 -2.8 58.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -54.0 -40.87 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -51.93 -29.71 21.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.0 m -45.08 -36.84 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -62.22 -50.04 73.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.13 84.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -55.73 -47.58 76.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 40.9 mt -63.1 -62.97 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.8 pt -49.88 -29.59 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -73.95 -36.04 64.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.53 -11.46 4.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -65.45 97.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.99 -40.43 6.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.6 m -107.05 163.29 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.4 ttm -74.03 -43.23 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.43 -39.11 31.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.83 -37.7 74.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.88 -20.0 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -86.61 -8.34 57.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -93.8 18.26 10.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.3 pt -138.93 142.65 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.5 -173.09 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -52.84 -62.32 1.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 p -49.55 -42.66 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -60.76 -40.09 91.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 38.8 tp -68.16 -38.45 82.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.9 mt -80.8 -16.57 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.89 -21.02 17.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.6 t -102.43 -52.47 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -91.31 9.99 29.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.2 pttt 39.02 45.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 57.9 mt -93.01 98.59 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -94.84 -34.24 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.2 tp -51.54 124.96 13.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.24 -50.16 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.05 -64.29 3.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -53.19 -53.78 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.732 0.301 . . . . 0.0 110.811 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -28.37 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -63.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.02 -41.14 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 21.1 mt -71.58 -50.99 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 63.0 tp -51.1 -47.45 61.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.74 -43.07 69.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 35.5 t -57.67 -32.45 67.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.62 -51.63 8.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 94.01 101.89 1.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.436 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -110.13 -29.53 8.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.319 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.926 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.768 0.318 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -112.27 158.51 19.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -126.76 128.91 47.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.7 t -51.11 -50.46 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.66 -48.01 67.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.417 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -58.26 -57.3 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -57.23 -57.68 11.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -33.73 40.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -76.96 -30.55 56.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.5 t -78.7 -23.75 45.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 pt -102.22 -20.25 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.83 -137.82 3.37 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.409 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -116.53 157.58 45.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.576 0.703 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -169.72 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 63.34 13.34 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.97 -24.84 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -54.35 -44.57 72.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -51.51 -48.45 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.51 -53.47 47.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -53.44 -61.29 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.26 -51.96 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.57 -27.95 65.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -88.51 7.8 31.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.65 -24.02 31.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -79.67 61.9 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -99.39 -17.35 18.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -120.91 124.75 45.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.38 -31.31 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.86 -25.16 55.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 -30.91 59.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.16 31.77 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.13 -56.22 3.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 p -80.64 -52.95 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.385 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.76 161.61 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.9 m -105.85 131.45 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.6 tpp -52.59 101.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -71.33 162.2 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.2 -48.75 80.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -54.81 -37.64 66.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.87 -62.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -29.26 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.82 -33.08 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.973 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.77 -34.55 78.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.5 mm -50.85 -73.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.32 36.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.0 mm -90.19 99.48 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 111.143 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.19 -67.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -52.21 103.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 p -59.82 -23.69 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.25 -21.65 62.18 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -77.45 -22.39 51.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.812 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.66 -58.98 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -54.09 -39.14 66.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -57.33 -61.15 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.73 -32.13 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.89 -71.55 0.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -33.18 25.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.86 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.8 tp -66.63 -11.83 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -99.83 -27.19 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.4 tp -89.91 -46.91 8.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.99 157.57 0.62 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.75 62.5 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.393 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 164.99 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.1 tpt -76.84 111.75 12.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 64.53 153.5 0.12 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.728 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -34.07 15.39 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.683 2.256 . . . . 0.0 112.368 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 tt -83.43 139.61 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.17 34.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -108.45 150.11 27.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -64.36 155.17 33.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.71 39.35 0.2 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.0 159.89 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.054 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -118.04 68.05 6.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.521 0.676 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 162.62 41.35 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.364 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 -38.53 3.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -164.94 174.71 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.9 t -51.33 -40.01 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.97 -63.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -51.41 -31.95 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -70.43 -60.75 2.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.05 -22.33 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.14 -26.4 38.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -96.97 -14.99 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.7 mm -88.84 10.67 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 59.03 28.05 17.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 mt -127.42 145.16 50.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.39 -44.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -53.08 -40.62 64.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -51.91 -31.22 27.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.1 m -49.16 -38.26 24.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -61.29 -55.71 28.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.49 86.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -55.72 -45.1 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.96 -63.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.5 pt -52.63 -29.06 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.182 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -68.25 -35.1 77.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.17 12.25 5.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -86.34 97.64 10.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.3 p -113.15 -37.96 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -105.17 137.02 43.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.2 tpp -54.64 -47.74 73.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -47.44 -33.99 6.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.97 -44.32 74.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.83 -21.79 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -68.15 -22.15 64.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -99.54 20.17 14.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.4 mp -117.13 139.48 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.16 -172.66 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.034 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -57.2 -56.51 20.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.7 p -55.17 -44.66 75.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.8 -35.56 78.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.5 -44.68 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.9 mt -78.38 -15.26 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -96.86 -21.9 17.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.75 -56.71 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.92 -20.31 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt 58.72 46.94 13.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 32.1 mt -92.25 117.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -117.98 -28.04 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 15.0 tp -51.69 131.54 30.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.0 mm -54.75 -65.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -45.14 -63.31 2.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -51.93 -41.27 61.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -61.98 -69.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -49.7 -45.02 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -55.14 -69.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 76.5 mt -52.12 -53.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -35.47 40.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.6 -49.23 55.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.1 p -56.23 -43.54 78.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 67.8 mt -75.22 -34.58 61.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -166.0 107.32 0.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.395 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -75.48 -27.28 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.8 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.313 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -105.44 177.57 4.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m -160.0 137.26 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.8 t -49.72 -30.6 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.81 -54.41 33.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -67.12 -47.04 72.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -56.82 -57.2 13.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -58.14 -46.97 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.39 -34.6 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -68.87 -53.56 20.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.782 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.1 pt -65.83 -23.65 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.25 -105.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.4 mt -155.13 157.83 31.91 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.575 0.703 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 72.85 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.667 2.245 . . . . 0.0 112.267 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.46 -26.88 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -113.35 -2.49 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -52.56 -46.95 67.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -58.53 -52.84 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -54.08 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.45 -61.49 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.4 mtp -50.33 -53.39 29.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.58 -24.27 63.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -94.1 19.71 8.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.98 -24.19 22.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -79.07 68.66 5.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -107.69 -10.28 15.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -125.85 129.12 48.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.2 t -59.3 -21.39 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.16 -24.77 65.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.71 -21.6 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -117.37 26.78 9.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.3 -55.02 3.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.9 p -95.04 -27.06 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 0.0 110.818 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -103.17 -177.25 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.4 t -145.57 120.04 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.5 ttm -59.37 123.85 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -97.68 -178.01 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.17 -35.87 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -54.11 -60.99 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.28 -40.82 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 tp -48.91 -52.12 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.66 -35.34 62.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -61.94 -25.66 67.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.8 mm -73.07 -69.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.19 42.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mp -107.91 -13.75 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.116 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.5 tp -58.61 -21.2 52.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -51.14 -30.91 17.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.58 -179.59 5.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.77 57.43 2.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.54 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -114.61 -4.61 12.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -52.13 -49.32 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.04 -51.86 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.41 -61.19 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.5 mt -59.03 -31.25 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.97 -58.48 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -61.87 -43.96 97.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.01 -59.09 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.5 tt -61.89 -27.31 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.01 -44.11 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.25 -65.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.8 tp 47.38 77.45 0.46 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.78 108.29 2.05 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.738 2.292 . . . . 0.0 112.325 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -11.89 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.0 mtt -60.11 -47.63 85.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.475 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 2.3 mtt180 -56.58 -60.61 8.75 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.615 0.721 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 54.4 Cg_endo -69.78 -169.61 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.356 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.52 -27.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.19 -146.4 24.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.523 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -155.17 178.89 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -113.28 -179.2 3.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.52 -142.53 12.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.0 178.85 9.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 111.166 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -124.32 73.82 59.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.29 61.0 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.1 m -117.63 -24.53 7.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.3 m -126.94 163.53 23.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 64.7 t -51.53 -38.44 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.04 -61.91 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -51.94 -30.93 26.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -76.0 -60.02 2.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.53 -27.74 17.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.62 -23.98 44.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -74.83 -22.39 58.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 mm -94.94 23.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 39.82 42.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 mt -110.99 -79.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.52 -52.46 4.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.88 -46.54 51.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -53.8 -32.89 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.7 m -47.95 -34.1 8.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -64.41 -56.51 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.61 -44.29 89.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -58.71 -47.72 83.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.95 -59.09 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.0 pt -56.8 -28.98 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -72.45 -26.46 61.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.87 5.08 20.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -75.85 96.65 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.906 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.54 -30.67 8.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.178 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.0 170.67 7.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.5 ttt -101.67 -42.33 6.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.85 -41.35 64.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -29.3 67.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.7 mt -59.18 -22.23 60.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -98.14 22.74 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -123.05 19.46 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.945 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 9.9 pt -125.54 162.73 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -112.18 -174.37 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.8 -57.14 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.7 p -51.31 -43.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -62.69 -47.41 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.8 tp -59.65 -36.35 76.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.7 mt -84.14 -19.05 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -93.0 -14.04 27.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.3 t -114.68 -52.23 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -94.87 -25.78 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.1 tptm 64.81 46.29 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 24.8 mt -89.96 95.34 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -96.28 -32.95 12.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.8 tp -51.84 124.26 12.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 73.1 mt -55.34 -51.06 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.89 -70.37 0.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -51.19 -36.29 40.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -67.69 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -44.24 76.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -51.84 -60.63 2.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 74.6 mt -59.12 -49.08 84.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.213 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.3 mp -51.61 -40.81 60.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.41 -43.05 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 t -56.86 -35.18 68.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.0 mt -82.91 -48.99 10.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 162.67 147.24 4.96 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -81.94 -53.29 6.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.369 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.899 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.756 0.312 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -116.76 143.06 46.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 m -118.84 133.43 55.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.4 t -51.57 -36.69 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.49 -42.46 98.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -69.06 -47.57 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -64.04 -45.01 90.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.39 -51.47 67.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.71 -27.81 68.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.7 t -71.41 -43.66 66.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 pt -79.64 -32.45 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.44 -122.78 1.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -132.8 157.27 78.77 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.625 0.726 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 74.06 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -125.35 -4.96 7.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -131.2 2.65 4.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.86 -62.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -49.53 -50.16 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -48.26 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -64.8 0.71 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.4 ptp -54.54 -45.69 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.3 67.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -95.93 19.64 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.64 -22.83 31.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -78.96 68.6 4.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.914 0.388 . . . . 0.0 110.961 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -104.72 -24.53 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.1 122.05 43.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.8 t -51.07 -27.15 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -53.95 -41.16 67.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.37 -23.54 62.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.8 mmt -64.52 -27.0 68.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.33 -142.17 19.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 p -117.86 101.97 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.372 . . . . 0.0 110.82 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 63.32 31.41 15.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.98 -50.56 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttt -51.61 110.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -105.0 172.38 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.45 -39.49 79.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.5 -43.49 79.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.5 -56.22 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -23.38 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 tp -92.71 -28.98 16.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -74.93 -36.05 62.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 21.0 mt -56.33 -74.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.16 38.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.58 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.2 mm -83.61 0.92 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.893 0.377 . . . . 0.0 111.19 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.3 mt -58.46 -21.46 51.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -51.19 -36.52 41.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.27 166.72 23.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.18 74.5 1.24 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -117.66 17.31 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -53.76 -57.92 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -60.7 -35.34 76.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -60.49 -68.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.12 -40.23 54.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.66 -48.91 79.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.19 -42.53 99.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.3 -54.42 37.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.1 tp -63.68 -28.16 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -74.43 -37.49 63.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 pp -90.05 -12.13 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 6.7 mt -48.91 -60.08 5.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.953 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.82 -11.25 30.39 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.6 -17.06 64.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 51.4 ttp -112.76 111.82 22.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 52.67 71.64 1.4 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 93.05 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -11.09 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.84 -113.51 2.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 m170 57.29 52.98 8.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -118.98 122.34 41.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.1 95.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.17 171.82 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 59.91 73.23 0.67 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.552 0.692 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 124.91 11.52 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.294 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 p -153.68 178.61 9.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -52.78 172.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.6 t -59.34 -46.47 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.79 -61.9 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -51.04 -42.47 60.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -57.9 -62.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.0 -20.77 59.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.19 -35.14 73.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.9 m -83.01 -3.76 57.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.5 mt -120.89 26.99 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.237 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 39.87 41.04 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.6 mt -130.07 30.96 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.28 -31.79 56.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.02 -41.94 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -54.77 -26.55 35.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.8 m -49.39 -31.98 10.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -57.0 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.54 -48.26 82.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -55.69 -45.8 77.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.48 -61.54 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.8 pt -54.46 -26.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -75.34 -29.79 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.23 20.27 6.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -87.85 88.94 7.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 110.972 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.8 p -97.77 -43.89 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 m -86.98 169.78 12.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.3 ttt -101.32 -44.95 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.5 -39.19 64.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -29.51 67.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.9 mt -58.11 -22.83 52.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -96.4 23.7 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -116.66 -0.98 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.4 pt -107.16 160.66 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -111.23 177.86 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -51.12 -62.66 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.49 -45.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -55.71 -42.23 74.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.2 tp -69.37 -35.77 76.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 59.7 mt -78.15 -17.52 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -99.99 -20.74 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.1 t -104.32 -55.54 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.33 -24.47 24.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt 64.2 43.5 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 26.0 mt -90.95 106.06 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -102.29 -30.0 11.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.4 tp -55.06 135.94 48.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 67.4 mt -69.23 -52.15 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -52.15 -45.43 57.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -70.86 -60.63 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -31.12 20.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -73.61 -60.83 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -49.93 -44.86 50.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 58.6 mt -67.52 -51.81 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 67.8 tp -50.12 -46.87 54.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.89 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -46.79 78.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.1 mt -84.89 -25.84 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.56 89.27 1.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.6 103.84 15.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.327 . . . . 0.0 110.825 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.778 0.323 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -106.29 153.38 22.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -136.96 128.5 28.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.45 -30.84 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.66 -50.82 45.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.58 -44.63 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.6 t90 -61.0 -44.49 97.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.0 tp -65.44 -50.32 65.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -23.59 66.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -79.55 -39.83 30.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.1 pt -78.4 -26.65 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.24 -127.49 0.89 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.69 126.93 28.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.88 74.87 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.302 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -131.98 5.07 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -121.03 -7.38 9.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -51.55 -47.78 63.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -53.4 -43.57 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -57.57 8.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.72 -59.41 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 ttt -51.92 -54.82 25.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.67 -23.47 59.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -92.89 19.65 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.02 -22.8 27.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -78.38 70.33 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.96 -18.05 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -121.14 125.33 46.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.3 t -55.03 -28.64 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -59.1 -33.46 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.92 -19.35 41.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.2 mtt -78.73 -21.33 48.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.07 -145.48 25.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.546 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -93.65 -70.78 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -117.82 29.01 8.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.06 -63.74 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.02 157.0 4.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -166.13 -171.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.33 -33.11 74.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -56.24 -60.35 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.58 -41.88 92.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 tp -51.92 -44.14 63.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.9 tp -82.34 -28.68 31.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -65.47 -30.92 71.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -68.63 -74.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 151.34 39.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.3 mm -89.23 -8.6 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.46 -9.53 58.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -51.57 -51.53 54.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.75 -25.99 7.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.15 -132.35 7.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 t60 63.32 16.29 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.3 . . . . 0.0 110.815 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -62.69 -64.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -52.04 -34.54 43.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -64.47 -60.75 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.52 -38.23 69.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -58.94 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -57.16 -36.91 71.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.47 -65.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.6 tt -52.5 -27.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -83.38 -32.18 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.7 tp -82.11 -16.2 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt -50.62 158.25 1.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -171.08 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.332 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.66 164.71 30.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.2 mtp -135.43 111.66 9.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.479 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 10.2 mmm-85 -62.55 -60.44 9.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 53.4 Cg_endo -69.81 165.33 31.37 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.0 mt -107.94 107.85 23.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.59 85.83 1.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.53 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -163.36 154.78 17.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -138.16 161.01 37.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 144.32 -132.64 4.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.13 161.73 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -83.81 138.66 40.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 99.36 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.279 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.0 m -97.61 -43.97 6.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.9 t -123.46 173.41 8.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -53.07 -40.21 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.3 -75.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -50.74 -34.01 25.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -58.33 -52.85 63.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.47 -27.48 58.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.99 -6.13 49.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -110.49 9.06 23.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 87.8 mt -114.64 -78.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -177.25 31.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 mt -145.63 -179.25 6.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.8 -52.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -55.02 -35.33 64.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -52.53 -30.84 32.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.9 m -49.07 -37.15 20.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -61.6 -51.78 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.29 90.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -57.43 -45.84 84.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.59 -60.51 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.9 pt -53.96 -29.05 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -72.59 -28.51 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.74 8.6 13.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -81.25 91.65 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.981 0.419 . . . . 0.0 110.942 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.98 -72.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.25 -176.85 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -30.13 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -50.82 -44.02 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -30.53 70.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.4 mt -63.21 -17.26 62.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -90.16 10.4 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -111.58 -45.76 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.939 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.2 pt -54.82 152.02 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.217 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -103.91 178.62 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -55.14 -66.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.807 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.1 -40.56 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -55.07 -56.49 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -26.93 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.9 mt -74.7 -23.86 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.42 -22.67 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 71.0 t -91.1 -54.22 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.72 -18.05 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt 64.34 42.71 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.0 mt -91.09 100.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -94.59 -34.22 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.3 tp -52.46 130.82 32.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 31.6 mt -68.13 -50.08 61.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.87 -42.0 68.58 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -71.89 -60.85 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.812 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -31.98 31.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -73.69 -54.89 7.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -37.86 53.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 57.4 mt -73.71 -53.77 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.62 -38.33 60.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.7 -37.54 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 t -61.02 -34.41 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 74.9 mt -92.88 -37.77 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.17 134.2 2.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -115.24 130.56 56.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.721 0.295 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.852 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.739 0.304 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -119.07 162.27 18.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 m -152.18 124.81 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 86.0 t -53.39 -36.5 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.61 -47.96 88.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.432 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -66.92 -49.49 65.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.75 0.309 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -59.24 -51.83 68.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.4 tp -58.55 -46.8 86.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.85 -36.15 78.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -66.71 -49.88 64.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 pt -69.91 -24.24 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.38 -102.83 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 mt -152.74 157.62 33.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 72.4 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -127.71 -1.98 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -126.95 -1.46 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.45 -53.92 52.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -54.55 -45.06 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -63.69 -58.04 8.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mp -51.49 -58.53 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.3 ttm -52.47 -54.85 26.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.76 59.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -92.07 14.67 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.34 -23.8 28.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.7 71.74 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.804 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -103.59 -22.98 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -111.61 123.65 50.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -53.37 -27.59 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -58.22 -30.81 66.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -23.84 64.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.9 mtt -67.76 -14.52 63.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.48 -139.37 21.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 p -126.05 -36.87 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.853 0.358 . . . . 0.0 110.92 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -112.42 -31.86 6.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.4 m -59.14 -176.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 61.46 72.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.9 -167.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -50.95 -34.51 29.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -60.23 -57.96 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -39.66 94.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.18 -41.73 84.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.8 tp -83.99 -22.29 31.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.56 -31.88 62.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.1 mt -67.73 -74.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.45 60.28 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.8 mm -128.18 125.88 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.848 0.356 . . . . 0.0 111.187 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.2 176.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.98 153.78 19.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.4 t 52.37 52.85 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.2 -94.82 0.1 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -86.22 -6.19 59.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -51.27 -64.25 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.27 -46.52 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.18 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.0 mt -51.3 -48.3 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 mt -51.14 -58.5 5.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -52.16 -48.36 64.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.36 89.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.3 mm -64.34 -36.16 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.066 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -69.18 -37.94 78.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.6 mt -87.63 -72.51 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mt 44.41 75.59 0.63 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.656 0.741 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 78.67 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mtmm -161.09 107.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 ttt -125.94 138.1 53.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -138.55 70.02 45.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.523 0.678 . . . . 0.0 110.817 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -10.16 27.83 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.57 154.27 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.33 -123.0 1.43 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -106.36 140.82 38.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -128.13 165.94 19.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.28 96.18 0.93 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -136.09 121.39 19.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -138.75 68.36 43.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.515 0.674 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.82 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.3 p -97.91 -35.77 10.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -136.57 176.46 8.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.3 t -52.7 -40.55 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.17 -72.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.033 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -50.84 -31.86 18.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -62.79 -57.18 11.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.45 -21.47 63.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.17 -34.7 64.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -95.14 21.78 7.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.0 mt -134.25 23.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.163 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 56.4 23.88 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 mt -126.36 131.81 51.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.45 -42.99 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -54.24 -37.17 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -52.85 -31.6 40.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -48.32 -36.1 13.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -65.35 -58.68 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.46 -44.51 84.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -58.65 -49.27 78.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.5 mt -57.91 -57.39 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.9 pt -58.78 -28.11 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -72.81 -18.35 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.2 28.19 7.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -92.02 47.94 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -75.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.3 t -67.37 126.97 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.1 ttt -51.39 -35.01 36.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.71 -29.99 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -51.35 -47.83 62.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.23 -24.97 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -66.62 -17.65 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -127.28 50.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.8 mm -118.12 136.0 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.59 164.15 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -46.99 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.6 p -48.53 -32.79 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -54.97 -63.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -25.63 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.2 mt -72.0 -26.28 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -101.71 -24.18 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.7 t -87.76 -56.17 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.27 -16.84 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 51.27 37.78 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.59 -62.85 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.199 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 52.09 37.36 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.2 tp -130.75 121.48 25.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.62 -51.08 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.83 -56.72 19.21 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 44.9 m170 -61.97 -59.51 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.336 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.92 -27.56 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -74.25 -62.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -51.41 -39.43 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 58.2 mt -71.03 -51.3 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 55.9 tp -50.81 -46.68 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.65 -37.17 65.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.2 t -59.07 -34.51 72.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 55.6 mt -93.2 -54.66 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 131.96 163.88 10.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -129.07 171.64 12.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.88 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.756 0.312 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -117.86 165.88 13.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 58.9 m -139.95 135.52 32.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.7 t -50.27 -39.21 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.0 -47.87 89.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.74 -53.0 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.766 0.317 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -58.86 -54.36 47.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 tp -57.69 -35.74 71.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -67.75 -39.87 84.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.9 t -66.47 -47.69 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.7 pt -74.55 -23.6 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.09 -103.76 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.1 mt -154.47 154.48 29.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.68 0.752 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.96 22.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -53.7 -27.98 31.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -101.04 -13.79 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -50.98 -47.59 61.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -51.7 -45.22 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -48.49 75.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.85 -63.83 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.3 ptm -54.2 -45.87 72.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.07 67.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -94.62 18.67 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.26 -20.79 44.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.436 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -78.93 63.57 3.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.45 -14.12 16.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.18 123.19 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -56.69 -22.61 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -59.32 -31.6 69.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.61 -14.45 58.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -111.11 13.68 21.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.96 -28.58 25.17 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -115.0 -171.75 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -95.18 23.09 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -57.75 -37.37 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 102.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -113.21 -176.74 2.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.4 -36.66 64.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -50.99 -59.86 3.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.99 -42.43 94.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 tp -50.58 -39.38 49.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.56 -28.1 22.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -18.08 61.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.6 mt -74.05 -49.71 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.21 -13.77 1.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.462 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mm -52.69 102.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 111.138 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 tp -104.91 -46.15 4.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -54.61 130.8 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.5 t -76.95 123.87 26.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.787 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.02 -51.48 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -75.1 -40.41 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.338 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.74 -46.09 63.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -63.99 -36.23 83.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -63.28 -51.03 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.18 -51.38 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.41 -52.6 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.45 -51.94 60.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.92 -56.16 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.0 tt -65.87 -29.79 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -62.0 -43.25 99.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.02 -65.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mt 45.78 76.99 0.48 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 92.23 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.405 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -141.71 144.04 33.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -112.6 -25.64 9.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.528 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 10.3 tpt180 -54.33 -57.68 17.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 55.0 Cg_endo -69.72 89.67 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.757 2.305 . . . . 0.0 112.38 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.9 pt -136.6 162.26 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.59 -107.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.55 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.5 m80 58.42 35.21 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -146.94 126.58 13.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.36 150.6 6.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.37 123.19 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -142.11 140.08 18.92 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.718 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 111.3 2.77 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.384 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 35.8 p -138.86 154.69 48.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -85.65 169.56 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 49.2 t -52.65 -33.45 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.07 -67.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.94 -15.95 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -78.63 -37.61 41.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 mt -90.74 -38.16 13.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -66.91 -15.67 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -95.73 -17.59 21.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.9 mt -86.95 -77.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -139.75 -71.49 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.7 134.14 54.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.18 -4.09 55.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.448 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -56.22 -40.91 74.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.874 0.369 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -54.27 -24.58 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.037 0.446 . . . . 0.0 110.943 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.1 m -48.01 -32.5 6.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -64.28 -55.97 17.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.22 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -58.84 -48.81 80.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.7 mt -60.07 -59.28 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.6 pt -56.44 -29.18 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.05 -25.45 62.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.73 31.04 4.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -98.58 34.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.963 0.411 . . . . 0.0 110.93 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 p -55.91 -29.32 59.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.0 t -101.96 129.34 48.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -48.09 81.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.78 -30.94 24.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.87 -36.93 68.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.08 -23.8 67.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -5.89 58.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -104.74 26.48 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.2 pt -142.53 148.33 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.12 -175.31 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.12 -58.19 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.54 -42.94 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -57.78 -46.11 85.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -37.8 85.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.1 mt -75.13 -19.82 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -97.26 -20.21 18.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.0 t -103.06 -59.9 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -78.28 -21.17 50.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt 64.2 41.92 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 25.4 mt -86.42 112.3 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.144 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.74 -33.46 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.2 tp -55.44 132.22 47.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.71 -58.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -46.65 -62.22 3.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -54.5 -59.04 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.57 -63.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -38.78 31.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -52.71 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.9 mm -61.58 -57.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.0 mp -51.47 -55.88 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.21 -44.62 71.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 t -54.96 -57.31 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.55 -46.85 88.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 83.61 39.45 9.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -83.24 166.33 18.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.894 -179.887 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.881 0.372 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -127.87 134.5 49.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.4 t -50.91 -41.87 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.97 -47.63 85.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.423 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -66.11 -56.76 9.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.661 ' NE1' HD11 ' A' ' 62' ' ' LEU . 43.2 t90 -52.56 -53.4 46.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.639 HD12 HD11 ' A' ' 11' ' ' ILE . 12.8 tp -58.03 -44.91 87.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.39 -32.9 71.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 t -71.79 -55.48 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.639 HD11 HD12 ' A' ' 8' ' ' LEU . 37.9 pt -65.02 -22.24 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.55 -107.97 0.24 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.511 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.8 mt -153.57 158.82 32.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.644 0.735 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 76.84 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -125.41 -36.16 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -101.25 0.77 38.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.45 -46.95 66.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -61.2 -48.35 81.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -57.58 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -54.05 -57.93 9.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.3 ttm -48.24 -58.77 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.47 -22.18 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.534 ' HA ' HD11 ' A' ' 121' ' ' LEU . 3.3 m120 -90.52 13.37 15.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.33 -22.16 31.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -80.29 57.4 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -95.62 -20.3 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.54 125.76 54.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.3 -23.16 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -58.92 -23.93 61.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.03 -25.37 61.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.562 ' HG3' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 60' ' ' GLN . 34.8 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.668 ' HB2' HD13 ' A' ' 59' ' ' ILE . 51.9 ttm -52.11 152.47 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -111.49 157.38 20.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.523 ' HB2' HD11 ' A' ' 56' ' ' LEU . 1.4 t70 -56.07 -44.4 78.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -59.15 -39.54 82.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.86 -63.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.722 ' HA ' HD12 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -51.97 -31.0 27.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.2 tp -80.66 -32.33 36.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' HB3' HD11 ' A' ' 122' ' ' ILE . 27.7 tt0 -71.06 -33.76 70.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 41' ' ' LEU . 58.7 mt -54.57 -75.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.4 65.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 111.155 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.8 m170 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.735 0.302 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.29 -55.93 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -57.79 -39.9 78.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -55.87 -57.24 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.56 -39.12 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 38' ' ' ASP . 6.8 mt -62.12 -62.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -57.08 -36.44 70.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 -66.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.668 HD13 ' HB2' ' A' ' 36' ' ' MET . 5.7 tt -52.57 -28.22 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.46 ' HA ' HG11 ' A' ' 35' ' ' VAL . 51.6 mt-30 -81.73 -32.43 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -81.86 -17.16 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.661 HD11 ' NE1' ' A' ' 7' ' ' TRP . 30.6 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.663 0.745 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.829 0.347 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t -149.46 178.23 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.613 HG12 HD12 ' A' ' 82' ' ' LEU . 21.9 t -55.83 -35.46 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.85 -73.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -52.93 -32.48 45.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.574 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 14.9 t90 -60.63 -56.91 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.613 HD12 HG12 ' A' ' 78' ' ' VAL . 6.5 mt -65.93 -28.55 69.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.52 -28.84 63.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -92.39 14.69 15.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 85' ' ' ILE . 5.9 mt -131.26 29.84 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 53.12 35.08 18.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.401 HD22 ' CD2' ' A' ' 90' ' ' TYR . 37.7 mt -144.49 140.81 29.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.81 -42.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -56.11 -33.16 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.506 ' OH ' HG23 ' A' ' 119' ' ' ILE . 2.9 m-85 -52.73 -29.14 25.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.2 m -48.16 -36.99 14.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -63.02 -62.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.65 -50.07 66.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.532 ' HB3' HG11 ' A' ' 78' ' ' VAL . 10.6 m-85 -54.92 -47.39 74.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.62 -61.28 2.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.9 pt -56.02 -23.36 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -76.11 -26.25 56.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.68 12.6 11.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.689 ' CD1' HD23 ' A' ' 105' ' ' LEU . 83.0 m-85 -87.04 97.65 10.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 110.968 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.72 -36.03 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.539 ' H ' HD12 ' A' ' 104' ' ' LEU . 74.5 m -111.18 138.06 48.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.1 ttm -51.77 -42.43 62.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -50.16 -39.7 44.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.539 HD12 ' H ' ' A' ' 101' ' ' SER . 90.3 mt -58.6 -35.75 72.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.689 HD23 ' CD1' ' A' ' 99' ' ' TYR . 16.0 mt -64.5 -20.08 65.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -99.91 11.39 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -112.38 22.21 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.468 HD13 ' OH ' ' A' ' 99' ' ' TYR . 32.1 pt -131.24 158.01 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -106.21 177.02 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -50.86 -62.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.8 p -51.47 -44.0 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.203 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 111' ' ' VAL . 70.0 mm-40 -59.24 -35.44 73.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.712 HD11 HD12 ' A' ' 119' ' ' ILE . 9.6 tp -71.4 -50.71 29.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 51.0 mt -70.38 -16.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -94.43 -31.81 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 64.1 t -92.71 -61.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.663 ' HB2' HD12 ' A' ' 113' ' ' LEU . 4.0 mm? -70.7 -27.4 63.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.53 42.57 27.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.712 HD12 HD11 ' A' ' 113' ' ' LEU . 96.2 mt -69.32 -57.35 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 51.47 46.64 26.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 23' ' ' ASN . 13.2 tp -149.31 116.6 6.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.402 HD11 ' HB3' ' A' ' 43' ' ' GLU . 68.0 mt -50.74 -49.21 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.45 -73.92 0.33 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -52.02 -34.83 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -63.5 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -41.12 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -54.42 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.574 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 53.7 mt -62.02 -46.68 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.5 tp -51.61 -42.43 61.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.01 -37.89 64.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 p -59.26 -40.1 84.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.3 mt -80.83 -48.5 12.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.537 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.898 0.38 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.23 131.78 54.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.14 -47.18 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.48 -36.71 85.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.91 -52.08 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -62.25 -48.66 78.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.73 -49.26 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.39 -34.99 77.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 t -65.83 -46.99 76.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.447 HG21 ' HB1' ' A' ' 58' ' ' ALA . 40.1 pt -75.19 -24.74 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.2 -107.02 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.6 mt -154.61 158.42 32.25 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.599 0.714 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 73.47 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -119.52 -23.07 6.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -118.41 16.07 13.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.949 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -63.14 -52.69 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -54.74 -51.37 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.27 -55.57 29.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -60.28 3.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.3 ttt -51.21 -56.77 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.54 -22.86 47.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -93.35 18.62 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.39 -23.71 26.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -77.86 64.88 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -95.9 -21.68 17.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -132.93 128.75 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.1 t -54.96 -25.84 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -59.27 -21.99 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.86 -19.52 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 36.3 mtt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.333 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.4 mtp -51.98 157.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -144.49 177.11 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.49 -40.4 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -52.87 -63.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.9 -45.71 78.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.663 HD13 HD13 ' A' ' 46' ' ' ILE . 1.2 mm? -51.92 -55.74 18.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.685 HD23 HH11 ' A' ' 52' ' ' ARG . 0.2 OUTLIER -68.82 -22.53 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -76.29 -27.46 56.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.7 mt -81.26 -71.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.58 46.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.663 HD13 HD13 ' A' ' 41' ' ' LEU . 3.6 mp . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 111.166 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.6 t60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.798 0.333 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.685 HH11 HD23 ' A' ' 42' ' ' LEU . 14.7 ttp180 -57.22 -61.03 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -50.16 -47.69 54.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -54.06 -65.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.2 mt -52.58 -41.46 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.59 -54.13 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -59.3 -40.08 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -64.76 -62.65 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -55.76 -29.14 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.095 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -76.01 -37.02 58.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -78.34 -22.3 48.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 59' ' ' ILE . 24.5 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.699 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.768 0.318 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.7 m -82.91 165.8 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.667 HG11 ' HB3' ' A' ' 94' ' ' PHE . 48.1 t -51.87 -44.79 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.33 -61.84 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -56.83 -23.89 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.413 ' CZ3' HD13 ' A' ' 105' ' ' LEU . 4.9 t90 -72.98 -63.08 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.44 -24.31 67.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -56.5 -31.73 64.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -93.65 18.52 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 85' ' ' ILE . 7.0 mt -133.54 26.02 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.53 21.29 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 87' ' ' LEU . 27.0 mt -125.64 125.97 43.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.31 -40.24 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.69 -40.94 63.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.714 ' OH ' HG23 ' A' ' 119' ' ' ILE . 11.4 m-85 -54.01 -30.92 49.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.7 m -50.01 -34.5 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -64.43 -57.87 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.54 88.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.667 ' HB3' HG11 ' A' ' 78' ' ' VAL . 7.8 m-85 -56.82 -46.24 81.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.14 -62.03 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 pt -52.86 -29.11 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -69.35 -33.9 73.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.01 13.73 4.86 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.423 ' CE2' HD21 ' A' ' 117' ' ' LEU . 73.9 m-85 -86.11 98.55 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.93 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.6 p -111.51 -39.53 4.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.55 ' H ' HD12 ' A' ' 104' ' ' LEU . 50.1 m -103.5 122.35 44.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 23.3 ttm -51.99 -38.44 56.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -50.13 -36.66 30.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.55 HD12 ' H ' ' A' ' 101' ' ' SER . 14.4 mt -57.61 -38.13 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.51 HD12 HD21 ' A' ' 132' ' ' LEU . 20.5 mt -57.62 -22.72 47.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -68.96 -31.06 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -93.8 19.28 9.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.8 mm -101.65 130.67 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.14 -179.57 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.4 -60.93 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 p -50.76 -42.91 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 116' ' ' VAL . 54.3 mm-40 -64.6 -38.83 92.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.556 HD11 HD13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -65.5 -43.73 89.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.508 ' N ' HD23 ' A' ' 113' ' ' LEU . 37.7 mt -77.38 -21.98 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -87.83 -22.67 24.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 112' ' ' GLU . 89.6 t -104.79 -60.77 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.6 mm? -80.87 -41.94 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.982 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm 64.3 37.51 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.714 HG23 ' OH ' ' A' ' 90' ' ' TYR . 2.6 mp -52.15 -49.73 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 55.07 40.85 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 tp -147.3 124.25 11.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 125' ' ' ARG . 61.6 mt -64.48 -42.65 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.38 -55.96 27.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -64.67 -58.23 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -49.16 -34.89 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -45.18 60.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -55.97 -49.58 73.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.2 pt -71.23 -38.19 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.05 -49.85 75.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.23 -37.38 72.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 t -62.63 -46.22 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.51 HD21 HD12 ' A' ' 105' ' ' LEU . 62.4 mt -71.87 -55.82 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -141.18 132.25 26.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.575 ' CG1' HD22 ' A' ' 20' ' ' LEU . 96.3 t -55.94 -36.38 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.59 -58.75 12.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -61.89 -51.45 68.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.4 ' CZ2' HD13 ' A' ' 11' ' ' ILE . 63.0 t90 -53.61 -61.39 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.58 HD12 HD11 ' A' ' 11' ' ' ILE . 7.8 tp -51.89 -44.42 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -59.5 -36.23 75.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 t -69.86 -57.52 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.58 HD11 HD12 ' A' ' 8' ' ' LEU . 29.0 pt -60.0 -25.69 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.173 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.85 -104.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.0 mt -155.87 156.95 31.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 72.74 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.729 2.286 . . . . 0.0 112.3 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -124.4 -33.59 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -101.15 -3.63 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.24 -53.21 37.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -50.28 -62.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -41.96 63.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.575 HD22 ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -54.61 -68.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.5 ptp -55.35 -42.83 74.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.81 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -95.92 19.74 11.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.53 -21.84 36.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -77.87 70.43 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.98 -19.83 13.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -115.39 120.53 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.439 HG13 ' SD ' ' A' ' 31' ' ' MET . 21.2 t -50.8 -27.78 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -52.34 -41.57 63.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' O ' HG11 ' A' ' 35' ' ' VAL . . . -54.28 -23.97 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.439 ' SD ' HG13 ' A' ' 28' ' ' VAL . 41.0 mtt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.494 HG11 ' O ' ' A' ' 30' ' ' ALA . 22.4 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.893 0.378 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.472 ' HG2' HD13 ' A' ' 59' ' ' ILE . 22.0 tpp -51.24 107.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -107.09 169.84 8.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.617 ' HA ' HD23 ' A' ' 41' ' ' LEU . 3.8 p30 -57.59 -44.47 85.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -55.22 -39.27 69.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.88 -59.34 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.779 HD11 ' HG2' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -52.54 -27.75 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.642 HD23 ' NH1' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -85.66 -35.54 20.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB3' HD11 ' A' ' 122' ' ' ILE . 3.7 tt0 -67.04 -31.92 72.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 41' ' ' LEU . 46.5 mt -56.75 -74.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.82 38.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.536 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 mm . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.17 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.779 ' HG2' HD11 ' A' ' 41' ' ' LEU . 14.7 mtp85 -51.61 -60.83 2.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -54.58 -48.23 72.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -51.45 -55.92 16.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.607 ' O ' HD12 ' A' ' 59' ' ' ILE . 58.3 mt -58.09 -44.22 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 56' ' ' LEU . 6.3 mt -58.0 -67.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -50.14 -36.34 29.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -55.75 28.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -59.23 -35.68 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.53 -27.36 60.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 61' ' ' LEU . 3.7 tt -89.58 -16.99 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 59' ' ' ILE . 16.1 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.788 0.327 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -78.77 167.02 21.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.508 HG11 ' CB ' ' A' ' 94' ' ' PHE . 24.1 t -53.46 -39.03 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.96 -65.26 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.56 -45.39 63.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.548 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 12.9 t90 -56.78 -63.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.31 -23.41 48.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.46 -21.65 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -102.67 -14.64 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.461 HD12 ' CB ' ' A' ' 131' ' ' SER . 9.4 mm -88.02 8.49 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.79 13.03 9.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.411 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.4 mm? -109.95 179.13 4.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.72 -52.54 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.443 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -50.83 -37.31 42.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' A' ' 87' ' ' LEU . 26.1 m-85 -53.27 -30.79 40.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.434 HG22 ' CD1' ' A' ' 95' ' ' LEU . 38.1 m -46.73 -34.87 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.637 ' O ' HG23 ' A' ' 96' ' ' ILE . 27.7 ttpt -64.74 -53.36 48.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.16 75.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.508 ' CB ' HG11 ' A' ' 78' ' ' VAL . 20.5 m-85 -57.92 -39.94 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.434 ' CD1' HG22 ' A' ' 91' ' ' THR . 26.1 mt -69.54 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 92' ' ' LYS . 24.6 pt -51.52 -30.44 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.78 -30.13 45.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.22 49.96 1.51 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.666 ' CD1' HD22 ' A' ' 104' ' ' LEU . 20.1 m-85 -101.55 26.23 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.042 0.449 . . . . 0.0 110.987 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -63.04 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 t -51.54 128.36 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.3 tpt -60.72 -56.31 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -49.49 -29.99 7.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.666 HD22 ' CD1' ' A' ' 99' ' ' TYR . 2.3 tt -52.01 -43.3 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 99' ' ' TYR . 49.1 mt -62.79 -27.63 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -96.62 5.2 51.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -103.81 13.56 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.7 pt -125.96 -177.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.66 177.41 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.43 -63.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.809 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.5 p -48.65 -44.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.7 tp10 -54.86 -48.36 73.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.919 HD11 HD12 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -63.67 -37.56 87.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.0 mt -75.08 -19.73 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.28 -16.73 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.538 HG12 HD22 ' A' ' 117' ' ' LEU . 91.6 t -105.01 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.628 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.8 mm? -84.86 -24.08 28.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.994 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 61.69 49.9 4.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.919 HD12 HD11 ' A' ' 113' ' ' LEU . 69.4 mt -88.16 94.25 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -91.02 -35.1 14.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.11 118.54 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.436 HD11 ' HB3' ' A' ' 43' ' ' GLU . 73.4 mt -51.75 -52.21 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.09 -71.5 0.61 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -51.54 -38.13 52.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -61.37 -72.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.68 -42.48 34.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -54.18 -63.66 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.548 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 69.0 mt -59.5 -51.72 69.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.2 tp -50.78 -39.21 51.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.65 -48.13 60.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.035 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.461 ' CB ' HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -55.77 -42.48 75.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.77 -55.69 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.899 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.12 136.58 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 25' ' ' PHE . 97.4 t -49.85 -40.91 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.27 -42.18 97.18 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.61 -53.92 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.721 ' CD1' HD21 ' A' ' 62' ' ' LEU . 56.2 t90 -57.39 -45.75 84.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 11' ' ' ILE . 12.6 tp -63.38 -48.55 77.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.36 -33.9 71.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.0 t -70.37 -53.63 15.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.554 HD11 HD12 ' A' ' 8' ' ' LEU . 32.7 pt -64.85 -24.76 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.14 -103.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 mt -151.86 159.07 33.64 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 80.38 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.266 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -129.02 -38.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.407 ' H ' HD21 ' A' ' 8' ' ' LEU . 2.1 m-85 -90.18 -4.98 56.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -52.3 -46.92 66.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -61.78 -50.88 70.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -60.29 4.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -50.04 -56.09 12.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.8 mtp -51.14 -54.15 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' HD11 ' A' ' 121' ' ' LEU . . . -61.98 -22.35 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.072 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -90.64 13.49 15.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.86 -18.65 52.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.46 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.4 m-85 -81.29 58.35 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -91.35 -21.79 20.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -120.58 125.42 47.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.7 t -51.69 -38.21 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -57.64 -32.58 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.78 -25.95 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.4 mtt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 60' ' ' GLN . 6.0 t . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.55 ' HB2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -75.14 145.27 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -86.67 140.96 29.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -52.06 -41.4 62.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -52.63 -51.36 60.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' HB3' HG21 ' A' ' 122' ' ' ILE . 3.3 m-20 -64.21 -49.97 69.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.824 HD21 ' HA ' ' A' ' 52' ' ' ARG . 11.9 tp -50.0 -50.74 46.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 tp -70.16 -31.82 69.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' HG2' HD11 ' A' ' 122' ' ' ILE . 9.5 tt0 -68.27 -30.77 69.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.464 HD13 HD12 ' A' ' 122' ' ' ILE . 9.8 mm -51.71 -59.97 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.92 -13.71 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.553 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.637 HD13 HD12 ' A' ' 55' ' ' ILE . 18.9 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.199 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.443 ' HB2' HG21 ' A' ' 46' ' ' ILE . 2.2 m170 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.824 ' HA ' HD21 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -49.96 -61.86 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.25 -36.22 81.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -58.83 -62.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.637 HD12 HD13 ' A' ' 46' ' ' ILE . 65.5 mt -57.58 -49.29 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' HG ' HD22 ' A' ' 41' ' ' LEU . 6.9 mt -54.9 -51.48 65.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -56.84 -45.01 82.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.65 -62.83 1.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 36' ' ' MET . 2.5 tt -52.33 -27.8 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.606 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 tt0 -78.13 -39.52 40.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.0 -5.96 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 7' ' ' TRP . 7.6 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.71 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.829 0.347 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -79.94 170.92 15.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.465 HG11 ' CB ' ' A' ' 94' ' ' PHE . 21.8 t -57.76 -36.23 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.15 -69.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -54.34 -32.88 57.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.54 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 13.5 t90 -61.23 -52.17 65.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.83 -24.6 61.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.15 -27.3 61.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -98.32 18.14 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 85' ' ' ILE . 7.8 mt -133.23 7.56 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 69.27 17.98 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.1 mm? -113.63 143.72 44.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.91 -46.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -51.43 -36.91 45.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.545 ' CD2' HD12 ' A' ' 87' ' ' LEU . 11.7 m-85 -53.87 -28.91 38.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.3 m -49.25 -34.84 16.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.182 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -65.02 -58.81 5.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.13 78.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.465 ' CB ' HG11 ' A' ' 78' ' ' VAL . 12.9 m-85 -56.13 -43.82 78.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.07 -59.91 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.0 pt -57.69 -28.13 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -74.07 -18.94 60.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.35 40.56 6.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.441 ' CE2' HD21 ' A' ' 117' ' ' LEU . 25.1 m-85 -95.87 25.83 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.88 0.372 . . . . 0.0 110.873 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.5 p -51.23 -35.22 35.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.435 ' HB2' HD12 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -97.95 121.68 40.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.491 ' HG3' HD12 ' A' ' 105' ' ' LEU . 25.9 ttm -56.47 -24.74 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -49.81 -43.4 48.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 101' ' ' SER . 3.8 mp -59.32 -33.33 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.491 HD12 ' HG3' ' A' ' 102' ' ' MET . 34.6 mt -62.9 -20.78 65.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -112.1 16.36 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -130.14 24.97 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.7 pt -133.68 151.91 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -107.29 -178.24 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.3 -56.29 19.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.8 p -50.91 -43.52 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 116' ' ' VAL . 4.4 mp0 -63.01 -40.51 97.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.844 HD11 HD12 ' A' ' 119' ' ' ILE . 34.4 tp -64.1 -41.74 97.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.1 mt -79.82 -19.46 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -91.32 -19.05 23.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 112' ' ' GLU . 82.3 t -109.51 -57.8 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.441 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.5 mm? -85.32 -30.96 23.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.1 mttp 64.64 51.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.844 HD12 HD11 ' A' ' 113' ' ' LEU . 56.6 mt -88.59 92.77 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -85.87 -28.01 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 22' ' ' ALA . 2.6 tp -60.82 124.07 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.464 HD12 HD13 ' A' ' 44' ' ' ILE . 52.2 mt -58.02 -51.9 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -49.96 -70.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -50.03 -40.25 44.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.759 ' HD3' HD12 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -59.04 -66.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -53.64 -46.48 70.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -49.87 -63.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.54 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 64.1 mt -58.31 -46.57 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.759 HD12 ' HD3' ' A' ' 125' ' ' ARG . 7.6 mt -51.74 -43.86 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.18 -32.38 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.64 -41.93 99.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.09 -41.39 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -112.96 133.06 55.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.4 t -54.33 -32.51 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.39 -57.96 13.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -44.33 94.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.453 ' CE2' HD13 ' A' ' 11' ' ' ILE . 73.8 t90 -62.68 -55.79 23.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.426 ' CD2' HD13 ' A' ' 20' ' ' LEU . 18.9 tp -58.26 -30.94 66.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -79.67 -28.31 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -80.7 -27.14 37.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.453 HD13 ' CE2' ' A' ' 7' ' ' TRP . 23.2 pt -97.26 -31.08 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.97 -109.93 0.97 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -152.87 159.63 32.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.554 0.692 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.9 19.68 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.746 2.297 . . . . 0.0 112.325 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -63.12 -16.1 58.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -113.96 -8.94 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -51.59 -58.15 7.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -51.4 -40.33 59.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -58.0 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -50.76 -60.8 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -52.5 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -24.47 65.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -93.08 18.14 9.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.85 -21.58 35.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.38 72.9 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.53 -23.1 11.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -122.62 125.01 44.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.98 -27.34 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -58.4 -26.82 63.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.13 -25.37 45.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.521 ' CB ' HD11 ' A' ' 59' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.86 0.362 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ttm -51.87 103.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -88.33 -179.42 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -55.72 -40.63 72.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -51.85 -60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.44 -43.86 93.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 41' ' ' LEU . 8.9 tp -50.63 -44.43 57.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 tp -78.75 -29.55 45.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HB3' HD11 ' A' ' 122' ' ' ILE . 2.0 mt-10 -62.98 -37.14 85.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.0 mm -61.5 -73.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.04 46.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.776 0.322 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -52.65 48.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -64.92 -31.74 73.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -61.52 -61.65 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 59' ' ' ILE . 62.6 mt -62.29 -44.58 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.03 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.4 mt -53.8 -65.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.448 ' HG2' HD12 ' A' ' 61' ' ' LEU . 33.0 tt0 -56.29 -37.45 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.34 -71.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.831 HD12 HD12 ' A' ' 62' ' ' LEU . 3.0 tp -53.21 -27.99 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -74.71 -33.8 62.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.448 HD12 ' HG2' ' A' ' 57' ' ' GLN . 86.6 mt -91.01 -11.48 38.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.831 HD12 HD12 ' A' ' 59' ' ' ILE . 6.8 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.819 0.342 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -112.37 178.97 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 99' ' ' TYR . 25.5 t -53.53 -36.39 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.74 -69.95 0.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -51.66 -34.01 36.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.587 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 13.6 t90 -63.63 -59.3 4.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.68 -34.06 73.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -52.98 -44.35 67.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -64.95 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.426 HD11 ' OG ' ' A' ' 131' ' ' SER . 6.1 mt -95.5 30.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 51.45 30.48 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.497 HD13 ' CD2' ' A' ' 90' ' ' TYR . 66.3 mt -130.33 128.88 42.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.32 -46.11 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.542 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.82 -39.04 65.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.497 ' CD2' HD13 ' A' ' 87' ' ' LEU . 3.8 m-85 -50.57 -31.25 15.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.414 HG22 HD12 ' A' ' 95' ' ' LEU . 29.1 m -50.35 -41.04 50.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.185 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -51.11 71.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.06 78.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -55.47 -46.67 76.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.414 HD12 HG22 ' A' ' 91' ' ' THR . 0.2 OUTLIER -59.28 -59.75 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.0 pt -57.7 -25.13 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -81.34 -17.7 48.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.23 37.5 5.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.533 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.622 ' CZ ' HD21 ' A' ' 117' ' ' LEU . 37.5 m-85 -96.09 34.53 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.96 0.41 . . . . 0.0 110.94 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.48 -67.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.158 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.95 159.11 9.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.457 ' HG3' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -99.21 -37.13 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -57.38 -34.95 69.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.661 HD12 ' N ' ' A' ' 105' ' ' LEU . 3.7 pp -60.02 -24.83 64.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.661 ' N ' HD12 ' A' ' 104' ' ' LEU . 87.3 mt -61.4 -18.0 56.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -101.19 20.57 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -28.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.4 pt -81.48 152.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -108.67 178.91 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -62.49 1.6 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.5 p -50.52 -45.47 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.5 mm-40 -55.28 -43.79 75.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.924 HD12 HD23 ' A' ' 117' ' ' LEU . 13.6 tp -67.94 -36.3 79.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.5 mt -77.41 -17.79 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.84 -19.45 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 112' ' ' GLU . 92.2 t -103.62 -56.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.924 HD23 HD12 ' A' ' 113' ' ' LEU . 3.4 mm? -84.26 -19.24 34.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 63.94 33.79 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.82 HD12 HD11 ' A' ' 113' ' ' LEU . 83.6 mt -82.18 93.08 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -98.18 -29.78 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.539 HD23 ' CD2' ' A' ' 124' ' ' HIS . 10.1 tp -51.97 129.5 27.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 43' ' ' GLU . 9.4 mm -59.22 -55.15 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.08 -58.45 8.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.539 ' CD2' HD23 ' A' ' 121' ' ' LEU . 31.7 m170 -59.59 -45.96 90.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.31 . . . . 0.0 110.819 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.54 -67.63 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.37 -42.75 61.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -51.66 -61.74 2.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.587 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 60.4 mt -61.77 -44.38 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 tt -51.69 -40.99 61.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.45 -33.18 42.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.111 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.426 ' OG ' HD11 ' A' ' 85' ' ' ILE . 36.2 t -65.07 -31.5 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.08 -41.27 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 179.824 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.842 0.353 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.71 123.76 48.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 89.8 t -52.52 -38.83 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.36 -38.34 93.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -68.15 -48.18 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.403 ' O ' HG23 ' A' ' 11' ' ' ILE . 62.9 t90 -63.88 -46.6 84.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.422 HD12 HD11 ' A' ' 11' ' ' ILE . 11.9 tp -63.25 -41.83 99.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -66.56 -40.13 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -64.81 -47.17 79.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.422 HD11 HD12 ' A' ' 8' ' ' LEU . 25.5 pt -72.86 -26.81 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.21 -104.24 0.22 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.5 mt -155.12 156.44 31.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 79.19 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.383 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -125.53 -37.95 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -99.4 19.12 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.2 -59.18 4.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -54.21 -46.3 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -57.15 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.51 -59.48 4.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -53.71 26.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -23.36 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.043 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.506 ' HA ' HD11 ' A' ' 121' ' ' LEU . 2.7 m-80 -91.67 14.53 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 -21.07 43.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -78.29 67.37 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.93 -23.35 16.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -128.18 122.18 31.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.6 t -52.09 -29.12 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -57.01 -25.32 58.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.24 -29.99 59.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ptp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.763 0.316 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.667 ' O ' HG21 ' A' ' 59' ' ' ILE . 5.9 ttm -57.47 156.23 8.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -129.85 165.83 21.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -54.47 -40.01 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -51.92 -59.17 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.633 ' HB3' HG21 ' A' ' 122' ' ' ILE . 6.3 m-20 -61.52 -43.07 99.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.813 HD21 ' HA ' ' A' ' 52' ' ' ARG . 9.0 tp -50.75 -44.01 58.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.7 tp -85.86 -21.3 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.78 -33.25 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.2 mt -66.24 -74.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.056 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.537 ' H ' HD12 ' A' ' 46' ' ' ILE . . . 170.16 57.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.537 HD12 ' H ' ' A' ' 45' ' ' GLY . 5.3 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.813 ' HA ' HD21 ' A' ' 41' ' ' LEU . 27.9 mtp180 -51.7 -58.73 5.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -55.91 -40.97 73.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -56.6 -68.75 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.0 mt -51.18 -46.7 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.1 mt -54.04 -56.98 12.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.59 -38.98 67.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.36 -49.02 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.667 HG21 ' O ' ' A' ' 36' ' ' MET . 29.3 mm -58.08 -39.14 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -79.14 -27.16 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.19 -20.49 41.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.68 0.753 . . . . 0.0 110.936 179.861 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.722 0.296 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -99.52 170.25 8.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.601 HG11 ' HB3' ' A' ' 94' ' ' PHE . 100.0 t -51.47 -36.16 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.02 -58.19 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -51.68 -33.89 36.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.539 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 2.3 t90 -72.82 -58.89 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.483 HD22 ' HB2' ' A' ' 87' ' ' LEU . 15.4 mt -57.97 -20.17 36.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.53 -31.28 45.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 t -90.07 -17.2 28.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.6 mm -92.34 18.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 40.84 38.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.674 HD22 ' CD2' ' A' ' 90' ' ' TYR . 17.3 mt -129.05 45.15 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.71 62.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -52.04 -45.31 64.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.674 ' CD2' HD22 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -53.86 -30.78 47.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -48.71 -34.46 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.465 ' O ' HG23 ' A' ' 96' ' ' ILE . 3.9 tppp? -64.42 -54.25 35.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.46 83.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.601 ' HB3' HG11 ' A' ' 78' ' ' VAL . 12.5 m-85 -56.11 -46.04 79.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.13 -62.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 92' ' ' LYS . 22.4 pt -53.33 -30.5 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -69.24 -32.62 71.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.79 11.32 7.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.683 ' CD1' HD23 ' A' ' 105' ' ' LEU . 95.0 m-85 -83.95 98.03 9.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.001 0.429 . . . . 0.0 110.899 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.89 -58.25 2.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.8 m -105.0 147.91 27.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -33.31 32.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -41.72 60.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 104' ' ' LEU . 12.2 mt -60.18 -31.53 70.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.683 HD23 ' CD1' ' A' ' 99' ' ' TYR . 22.4 mt -65.09 -19.17 65.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.951 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -95.43 -1.84 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -98.87 23.63 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.3 pt -136.75 153.12 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.422 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . . . -98.51 179.22 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -51.03 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.8 p -51.68 -43.25 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.422 ' HG3' ' HB3' ' A' ' 109' ' ' ALA . 46.5 mt-10 -55.2 -39.61 69.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 117' ' ' LEU . 6.0 tp -75.46 -53.3 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.955 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.41 -17.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -97.27 -56.21 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.57 -55.94 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.663 ' HB2' HD12 ' A' ' 113' ' ' LEU . 4.1 mm? -77.26 -16.93 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.8 mttm 53.52 44.84 29.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.656 HG23 ' OH ' ' A' ' 90' ' ' TYR . 33.4 mt -81.23 -70.32 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.7 t30 57.28 34.81 25.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.573 HD23 ' CD2' ' A' ' 124' ' ' HIS . 11.5 tp -128.99 134.42 48.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.633 HG21 ' HB3' ' A' ' 40' ' ' ASP . 44.9 mt -68.03 -50.88 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -54.12 -47.74 66.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.573 ' CD2' HD23 ' A' ' 121' ' ' LEU . 42.6 m170 -68.16 -59.93 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.64 ' HD3' HD12 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -51.96 -27.84 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.6 tptt -75.08 -61.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -54.74 -34.72 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.539 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 75.8 mt -73.77 -52.98 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.64 HD12 ' HD3' ' A' ' 125' ' ' ARG . 28.3 mt -60.12 -34.78 73.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.26 -51.04 19.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -56.49 -42.52 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.403 HD11 HD13 ' A' ' 105' ' ' LEU . 39.4 mt -75.15 -42.76 55.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.556 ' HB3' HG11 ' A' ' 28' ' ' VAL . 4.9 tp60 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.901 0.381 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.33 147.38 47.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 t -59.13 -47.02 91.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.04 -52.58 50.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -62.83 -54.66 35.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -55.43 -61.18 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.481 HD12 HD11 ' A' ' 11' ' ' ILE . 9.4 tp -51.23 -41.32 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.85 -33.97 77.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -73.37 -52.47 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.775 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.593 HG21 ' HB1' ' A' ' 58' ' ' ALA . 47.9 pt -68.03 -24.79 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.56 -113.4 0.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.92 160.4 31.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 89.18 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -142.44 -42.38 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.563 ' CE2' HG23 ' A' ' 46' ' ' ILE . 61.7 m-85 -92.94 11.96 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -62.61 -45.87 90.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -59.02 -50.51 73.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -56.0 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.11 -63.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 ttt -51.86 -49.64 62.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.28 -25.82 64.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.647 ' CG ' HG23 ' A' ' 44' ' ' ILE . 4.8 m-80 -93.17 20.06 7.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.99 -14.99 55.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -81.15 54.11 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -81.98 -26.49 33.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.49 112.18 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 2' ' ' GLN . 7.2 p -51.42 -32.72 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -56.01 -23.21 31.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.73 -29.99 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG13 HG13 ' A' ' 59' ' ' ILE . 20.9 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.72 123.51 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -111.88 -176.41 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -61.92 -35.89 79.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -52.42 -62.12 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.97 -41.32 95.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.746 HD21 ' HG3' ' A' ' 52' ' ' ARG . 13.4 tp -49.74 -43.81 48.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.36 -24.56 24.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -65.08 -32.76 74.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.647 HG23 ' CG ' ' A' ' 23' ' ' ASN . 84.7 mt -67.58 -74.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.74 38.26 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.731 HD12 HD12 ' A' ' 41' ' ' LEU . 69.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.1 t60 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.779 0.323 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 41' ' ' LEU . 8.3 ttp85 -50.84 -59.19 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -61.33 -30.93 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -60.09 -64.48 0.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.02 -38.06 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.41 -66.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.39 -39.92 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.593 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -63.05 -65.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.655 HD12 ' CD1' ' A' ' 62' ' ' LEU . 3.9 tp -57.34 -20.97 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -87.28 -26.18 23.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -97.91 -8.38 28.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.655 ' CD1' HD12 ' A' ' 59' ' ' ILE . 16.6 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 t -135.89 176.19 8.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.669 HG11 ' CB ' ' A' ' 94' ' ' PHE . 32.7 t -53.86 -35.9 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -64.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -51.77 -31.14 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.591 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 7.6 t90 -72.35 -61.03 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' A' ' 87' ' ' LEU . 13.5 mt -57.23 -22.2 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.74 -24.74 51.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 m -92.47 -15.83 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.452 HG23 ' HG2' ' A' ' 127' ' ' ARG . 5.3 mm -92.97 18.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 58.1 22.31 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.617 HD22 ' CD2' ' A' ' 90' ' ' TYR . 17.9 mt -123.9 143.1 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.1 -48.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -56.02 -32.45 64.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.617 ' CD2' HD22 ' A' ' 87' ' ' LEU . 1.3 m-85 -54.05 -30.09 46.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.7 m -49.98 -34.37 20.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -62.72 -53.06 60.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.99 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.669 ' CB ' HG11 ' A' ' 78' ' ' VAL . 13.6 m-85 -56.96 -44.55 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.26 -61.4 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.7 pt -54.84 -29.99 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -71.02 -27.21 63.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.69 33.6 4.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CD1' HD22 ' A' ' 104' ' ' LEU . 46.1 m-85 -95.52 35.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.988 0.423 . . . . 0.0 110.934 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 36.1 p -63.68 -29.3 70.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -88.5 141.21 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 tpt -69.27 -56.89 6.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.01 -30.17 14.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.677 HD22 ' CD1' ' A' ' 99' ' ' TYR . 2.2 tt -53.63 -40.78 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.592 HD23 ' CD1' ' A' ' 99' ' ' TYR . 71.6 mt -62.78 -25.23 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -97.05 14.34 25.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -119.88 27.34 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 113' ' ' LEU . 13.9 pt -135.14 150.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -97.94 173.05 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -50.93 -40.63 57.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 112' ' ' GLU . 7.3 p -70.63 -43.68 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 111' ' ' VAL . 77.9 mm-40 -57.0 -39.28 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.701 HD12 ' HB2' ' A' ' 117' ' ' LEU . 4.1 tp -75.0 -54.37 7.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.52 HG23 ' H ' ' A' ' 120' ' ' ASN . 40.3 mt -59.37 -20.08 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -94.11 -56.1 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.81 -58.65 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.701 ' HB2' HD12 ' A' ' 113' ' ' LEU . 4.0 mm? -73.11 -16.29 61.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt 52.19 52.34 14.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.675 HD12 HD11 ' A' ' 113' ' ' LEU . 68.7 mt -86.31 -50.65 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.52 ' H ' HG23 ' A' ' 114' ' ' ILE . 2.9 p-10 41.97 39.42 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.453 ' H ' HG22 ' A' ' 119' ' ' ILE . 7.7 tp -132.35 118.12 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 65.3 mt -50.71 -50.47 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.36 -73.09 0.4 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.418 ' CE1' HD23 ' A' ' 121' ' ' LEU . 24.7 m170 -51.46 -45.69 62.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.835 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.522 ' HG2' HD12 ' A' ' 129' ' ' LEU . 1.2 ttt180 -51.41 -60.85 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -52.34 -49.34 64.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.452 ' HG2' HG23 ' A' ' 85' ' ' ILE . 3.9 ttt180 -53.18 -65.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.591 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 54.1 mt -52.58 -54.15 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.522 HD12 ' HG2' ' A' ' 125' ' ' ARG . 16.6 mt -53.17 -30.69 38.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.12 -47.95 39.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 82.1 p -58.75 -48.26 81.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.81 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.57 -42.76 67.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -134.21 143.37 47.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.55 -36.36 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.74 -56.79 23.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -64.59 -49.87 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.622 ' CH2' HD12 ' A' ' 59' ' ' ILE . 57.0 t90 -54.22 -53.16 57.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.723 HD21 ' HB2' ' A' ' 16' ' ' TYR . 12.5 tp -65.77 -31.31 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -72.42 -26.71 61.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -82.63 -50.46 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.65 HG21 ' HB1' ' A' ' 58' ' ' ALA . 24.6 pt -73.04 -30.05 30.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.95 -119.43 1.01 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mt -139.39 159.04 67.54 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.679 0.752 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.13 25.35 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -53.86 -27.93 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.723 ' HB2' HD21 ' A' ' 8' ' ' LEU . 19.9 m-85 -97.86 -16.07 19.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -51.73 -49.08 63.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -53.27 -47.36 69.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -62.09 -53.74 51.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -50.82 -63.44 1.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.1 ttm -50.71 -51.62 48.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.45 -25.65 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.058 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.557 ' HA ' HD11 ' A' ' 121' ' ' LEU . 1.4 m-80 -93.91 20.36 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 -20.41 37.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.44 ' HB3' HD23 ' A' ' 20' ' ' LEU . 3.5 m-85 -78.4 69.4 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.8 -22.31 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -114.39 130.2 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.2 t -57.35 -31.98 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -54.79 -25.88 30.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.82 -27.12 27.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.521 ' CB ' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.877 0.37 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.448 ' HB3' HG21 ' A' ' 59' ' ' ILE . 24.2 ttm -51.88 121.65 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -88.56 174.99 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.59 -36.17 73.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -54.29 -59.22 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' HB3' HG21 ' A' ' 122' ' ' ILE . 2.4 m-20 -63.27 -51.13 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.763 HD21 ' HA ' ' A' ' 52' ' ' ARG . 18.8 tp -49.65 -40.21 38.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.2 tp -82.81 -25.35 32.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -73.28 -32.72 64.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.658 HD13 HD12 ' A' ' 122' ' ' ILE . 18.4 mm -52.17 -71.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.23 -32.01 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.451 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.8 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.748 0.309 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.763 ' HA ' HD21 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -51.72 -62.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.43 -41.35 63.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -55.48 -67.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' ' 59' ' ' ILE . 61.2 mt -57.87 -28.14 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.5 -72.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -57.24 -29.4 63.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.65 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -69.94 -45.12 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.622 HD12 ' CH2' ' A' ' 7' ' ' TRP . 3.0 tt -85.78 -8.13 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -96.48 -29.93 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.33 -38.07 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 58' ' ' ALA . 3.9 mm? . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.561 0.695 . . . . 0.0 110.927 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.826 0.346 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -64.36 157.41 26.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.598 HG11 ' CB ' ' A' ' 94' ' ' PHE . 38.7 t -51.51 -43.5 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.42 -62.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -51.33 -33.5 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.564 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 6.6 t90 -68.79 -62.14 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.2 mt -57.76 -22.53 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.78 -17.76 57.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.8 p -106.3 -13.59 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 85' ' ' ILE . 8.4 mm -88.5 10.24 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 66.24 18.88 11.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.41 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.3 mm? -110.33 179.25 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.973 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.49 -54.42 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -49.76 -43.57 48.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.511 ' OH ' HG23 ' A' ' 119' ' ' ILE . 22.2 m-85 -49.97 -31.36 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.4 m -46.86 -42.19 16.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 96' ' ' ILE . 19.5 pttt -64.11 -43.25 95.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 92' ' ' LYS . . . -66.92 -51.4 55.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.598 ' CB ' HG11 ' A' ' 78' ' ' VAL . 22.1 m-85 -56.44 -43.29 79.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.18 -60.04 3.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 92' ' ' LYS . 22.3 pt -57.91 -23.69 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -76.68 -27.13 55.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.06 2.42 22.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' O ' HG21 ' A' ' 78' ' ' VAL . 93.2 m-85 -74.07 97.71 2.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.88 -25.82 9.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -123.99 129.83 51.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.6 ttm -51.85 -33.61 37.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.47 -39.34 33.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.1 mt -58.06 -37.47 74.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.94 -21.67 58.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.0 -29.44 68.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -97.88 24.37 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.27 129.88 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.03 178.35 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -57.15 -68.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.1 p -49.23 -46.38 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 116' ' ' VAL . 5.7 mm-40 -55.96 -40.99 74.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.62 HD12 HD23 ' A' ' 117' ' ' LEU . 21.1 tp -68.97 -36.84 78.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 54.2 mt -78.34 -17.31 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -98.75 -21.44 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 112' ' ' GLU . 90.1 t -103.69 -55.72 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.62 HD23 HD12 ' A' ' 113' ' ' LEU . 3.7 mm? -87.14 -26.86 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? 64.48 44.64 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.511 HG23 ' OH ' ' A' ' 90' ' ' TYR . 7.5 mt -86.65 101.06 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -97.94 -34.78 10.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.685 HD23 ' CD2' ' A' ' 124' ' ' HIS . 12.5 tp -52.48 132.9 35.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.658 HD12 HD13 ' A' ' 44' ' ' ILE . 58.8 mt -69.78 -40.54 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.11 -46.42 93.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.685 ' CD2' HD23 ' A' ' 121' ' ' LEU . 38.9 m170 -69.66 -50.79 40.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -30.96 69.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -73.54 -56.21 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -53.46 -44.02 68.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.564 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 87.4 mt -68.5 -54.95 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.493 ' C ' HD13 ' A' ' 129' ' ' LEU . 3.4 tm? -53.29 -41.21 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.67 -52.27 46.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.68 -44.04 62.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.3 mt -69.86 -53.85 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.877 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.52 130.38 40.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.5 t -51.05 -39.69 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.61 -46.31 94.01 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.57 -54.98 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -56.12 -48.51 76.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.588 HD12 HD11 ' A' ' 11' ' ' ILE . 15.7 tp -62.08 -36.25 81.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.11 -30.85 67.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -74.75 -43.25 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.588 HD11 HD12 ' A' ' 8' ' ' LEU . 24.9 pt -77.88 -31.01 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.717 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -152.75 -125.45 1.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.717 HD22 ' C ' ' A' ' 12' ' ' GLY . 3.7 mm? -133.31 156.11 80.15 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 68.96 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -120.77 -15.62 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -122.08 0.09 9.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -51.8 -54.74 25.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -55.74 -49.97 71.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -52.69 61.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -57.37 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.2 mtt -54.76 -54.42 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.77 -23.68 60.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.552 ' HA ' HD11 ' A' ' 121' ' ' LEU . 1.3 m-80 -90.2 13.55 14.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.82 -22.38 39.64 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.455 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -80.72 65.26 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -97.87 -20.71 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -118.52 120.31 37.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.469 HG13 ' SD ' ' A' ' 31' ' ' MET . 24.6 t -51.08 -33.26 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -51.54 -30.23 19.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.75 -25.68 19.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.469 ' SD ' HG13 ' A' ' 28' ' ' VAL . 16.8 mtt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.76 0.314 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.2 mtp -52.6 121.49 7.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -97.03 176.28 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.469 ' HB2' HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -63.71 -33.25 75.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -58.34 -62.19 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -62.36 -42.07 99.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.605 ' HA ' HD12 ' A' ' 44' ' ' ILE . 21.2 tp -57.69 -45.05 86.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 tp -79.57 -21.35 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -75.91 -35.84 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.6 mt -58.95 -71.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.7 35.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.9 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttp-105 -50.59 -58.04 6.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.62 -45.12 85.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -57.79 -64.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.491 ' HB ' HD21 ' A' ' 41' ' ' LEU . 79.9 mt -51.64 -35.05 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 38' ' ' ASP . 8.6 mt -66.98 -52.29 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -60.62 -39.63 88.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.27 -58.9 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -59.15 -27.2 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -77.92 -37.4 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -88.86 -8.51 54.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 59' ' ' ILE . 6.9 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 110.975 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.816 0.341 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.4 m -153.27 167.39 29.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.59 HG11 ' CB ' ' A' ' 94' ' ' PHE . 40.9 t -51.82 -37.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.14 -58.08 7.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -68.78 -12.38 61.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -84.29 -42.27 15.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.5 mt -88.2 -44.55 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -59.54 -21.06 59.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 t -94.64 8.62 41.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.486 HG21 ' HG3' ' A' ' 127' ' ' ARG . 86.5 mt -113.81 -71.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -150.36 -65.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.496 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -117.4 125.64 51.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.58 -4.41 58.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -54.98 -40.49 70.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.468 ' CE2' HD11 ' A' ' 87' ' ' LEU . 3.9 m-85 -53.38 -27.83 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.5 m -46.64 -34.42 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -62.03 -54.59 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.5 89.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CB ' HG11 ' A' ' 78' ' ' VAL . 17.1 m-85 -55.92 -48.01 76.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.81 -63.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.3 pt -52.11 -29.08 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -71.28 -34.41 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.99 0.16 7.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.669 ' CD1' HD23 ' A' ' 105' ' ' LEU . 93.3 m-85 -74.05 97.83 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.2 p -114.05 -26.82 7.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.189 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 m -107.27 138.62 43.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.587 ' SD ' HD12 ' A' ' 105' ' ' LEU . 10.0 tpp -59.58 -54.27 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -50.72 -33.15 21.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 104' ' ' LEU . 1.5 tt -55.99 -39.43 71.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.669 HD23 ' CD1' ' A' ' 99' ' ' TYR . 12.0 mt -62.09 -24.06 66.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -83.92 -13.91 52.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -80.96 -29.02 35.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.458 HG21 ' OH ' ' A' ' 99' ' ' TYR . 12.3 pt -81.74 156.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -106.77 179.27 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.426 ' HG2' HD11 ' A' ' 114' ' ' ILE . 4.3 tt0 -53.29 -65.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.437 ' HA ' HD12 ' A' ' 114' ' ' ILE . 4.1 p -50.45 -42.83 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 116' ' ' VAL . 14.8 mm-40 -53.33 -53.58 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.702 HD13 HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -67.81 -26.61 66.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 111' ' ' VAL . 42.1 mt -76.47 -24.1 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -101.2 -18.34 16.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 112' ' ' GLU . 72.4 t -96.8 -54.16 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.438 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.6 mm? -86.86 -14.25 42.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp 59.93 43.81 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.702 HD12 HD13 ' A' ' 113' ' ' LEU . 18.3 mt -93.17 109.42 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.37 -28.91 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.682 HD23 ' CD2' ' A' ' 124' ' ' HIS . 14.6 tp -51.19 139.48 18.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 14.3 mm -61.6 -66.99 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -44.48 -61.42 3.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.682 ' CD2' HD23 ' A' ' 121' ' ' LEU . 26.7 m170 -50.52 -54.96 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -51.15 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -52.32 -36.39 53.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.486 ' HG3' HG21 ' A' ' 85' ' ' ILE . 1.9 tpt180 -58.33 -63.18 1.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.497 HD12 HD13 ' A' ' 119' ' ' ILE . 22.6 mt -63.74 -50.31 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 tp -49.93 -48.18 51.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.35 63.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.5 t -64.43 -40.98 96.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.1 mt -87.12 -55.24 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 179.865 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -127.53 132.08 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -51.04 -45.58 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.59 -42.1 83.52 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.417 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -67.89 -52.74 32.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.659 ' NE1' HD11 ' A' ' 62' ' ' LEU . 41.0 t90 -57.69 -53.4 58.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.7 -48.91 78.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -56.66 -38.34 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.7 t -65.99 -56.68 10.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.44 HG21 ' HB1' ' A' ' 58' ' ' ALA . 38.1 pt -61.67 -24.22 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.623 ' C ' HD23 ' A' ' 13' ' ' LEU . . . -154.34 -101.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.552 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.623 HD23 ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -159.01 160.07 29.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 83.53 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -137.52 -47.52 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.749 ' CE1' HG23 ' A' ' 46' ' ' ILE . 18.0 m-85 -84.7 -9.21 58.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -51.93 -41.19 61.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -59.44 -59.35 5.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -53.25 41.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.81 -63.24 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt -50.08 -55.54 14.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.26 -25.23 47.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.41 21.02 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.88 -24.23 19.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.14 73.58 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -109.58 -20.69 12.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -118.46 130.83 56.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.39 -33.48 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.49 -26.16 41.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.48 50.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.053 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.828 0.346 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.48 ' HB2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -51.99 167.49 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -152.14 171.3 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -59.08 -36.63 75.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -50.15 -59.77 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.21 -37.31 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.808 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.581 HD13 HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -50.85 -44.07 59.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.1 tp -86.12 -32.87 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' HG2' HD11 ' A' ' 122' ' ' ILE . 24.1 tt0 -63.44 -25.88 68.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.801 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.1 mt -81.06 -74.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.48 88.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.749 HG23 ' CE1' ' A' ' 16' ' ' TYR . 68.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.16 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.548 ' HB3' HG21 ' A' ' 46' ' ' ILE . 2.6 t60 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.547 ' HG2' HD12 ' A' ' 41' ' ' LEU . 2.2 mtm105 -54.79 -47.95 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -61.44 -49.39 77.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -53.09 -63.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.461 ' HB ' HD21 ' A' ' 41' ' ' LEU . 61.6 mt -54.14 -39.83 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mt -56.71 -67.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.26 -32.56 56.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.44 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -66.15 -68.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -53.64 -28.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -79.11 -33.23 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.6 mt -83.11 -19.49 36.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.659 HD11 ' NE1' ' A' ' 7' ' ' TRP . 24.9 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.964 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.771 0.319 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -160.17 134.29 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.796 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.718 HG11 ' CB ' ' A' ' 94' ' ' PHE . 61.1 t -51.6 -49.94 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.947 ' HB2' HG21 ' A' ' 91' ' ' THR . . . -62.77 -39.58 94.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.96 -24.92 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.453 ' CH2' HD11 ' A' ' 132' ' ' LEU . 1.6 t90 -87.07 -41.76 13.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.679 HD12 HG12 ' A' ' 78' ' ' VAL . 16.2 mt -75.71 -29.33 58.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.22 -48.61 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.3 t -62.95 -16.97 61.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.436 HG22 ' HD3' ' A' ' 127' ' ' ARG . 5.2 mt -103.2 29.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 51.15 30.2 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 90' ' ' TYR . 33.3 mt -127.55 128.01 44.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.26 -45.7 0.13 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -50.16 -43.85 52.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.79 0.328 . . . . 0.0 110.821 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.418 ' CD2' HD13 ' A' ' 87' ' ' LEU . 7.0 m-85 -49.24 -35.96 18.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.947 HG21 ' HB2' ' A' ' 79' ' ' ALA . 30.1 m -46.47 -41.8 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -58.16 -48.96 78.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 96' ' ' ILE . . . -66.08 -47.27 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.718 ' CB ' HG11 ' A' ' 78' ' ' VAL . 14.9 m-85 -56.5 -42.17 77.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.47 HD13 HG22 ' A' ' 91' ' ' THR . 0.1 OUTLIER -68.4 -62.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 92' ' ' LYS . 25.4 pt -49.55 -30.08 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -78.18 -33.86 49.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.11 50.0 0.74 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.593 ' OH ' HG11 ' A' ' 116' ' ' VAL . 45.0 m-85 -112.59 22.59 14.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.976 0.417 . . . . 0.0 110.927 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 p -49.39 -54.79 15.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.218 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.85 162.36 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 85.2 mmm -103.43 -44.11 5.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -43.95 -52.38 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 105' ' ' LEU . 3.1 pp -61.41 -34.36 75.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.672 HD11 HG22 ' A' ' 78' ' ' VAL . 12.3 mt -67.18 -11.45 57.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -109.96 3.29 20.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.08 12.83 12.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.477 HG21 HD23 ' A' ' 113' ' ' LEU . 4.7 tt -90.81 165.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -117.79 161.32 19.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -50.55 -60.6 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.28 -40.31 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.9 mt-10 -60.9 -42.03 97.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.806 HD12 HD12 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -66.59 -43.82 83.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 44.0 mt -76.06 -16.93 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -95.64 -21.13 18.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.593 HG11 ' OH ' ' A' ' 99' ' ' TYR . 71.0 t -102.15 -59.24 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.47 ' HB2' HD13 ' A' ' 113' ' ' LEU . 4.3 mm? -77.65 -17.14 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 63.89 37.98 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.806 HD12 HD12 ' A' ' 113' ' ' LEU . 55.5 mt -81.87 101.08 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -84.08 -29.42 26.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.481 HD23 ' CD2' ' A' ' 124' ' ' HIS . 5.8 tp -63.34 116.8 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.432 HD11 ' HG2' ' A' ' 43' ' ' GLU . 83.1 mt -62.36 -36.0 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.26 -46.08 94.67 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.481 ' CD2' HD23 ' A' ' 121' ' ' LEU . 50.3 m170 -69.75 -56.33 7.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -36.5 61.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -71.31 -47.65 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.436 ' HD3' HG22 ' A' ' 85' ' ' ILE . 4.8 mtp180 -53.83 -50.25 66.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.6 pt -69.62 -38.87 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.69 -49.95 75.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.98 -32.47 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.9 t -65.65 -48.37 72.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.453 HD11 ' CH2' ' A' ' 81' ' ' TRP . 23.3 mt -73.01 -46.71 50.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.492 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.531 ' HB3' HG21 ' A' ' 28' ' ' VAL . 2.5 mp0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.894 0.378 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.605 HG22 ' H ' ' A' ' 5' ' ' GLY . 44.1 m -141.62 127.72 19.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 74.7 t -51.1 -34.65 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.605 ' H ' HG22 ' A' ' 3' ' ' THR . . . -60.29 -57.37 19.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -60.99 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -57.82 -60.67 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 16' ' ' TYR . 3.6 tp -56.04 -32.16 63.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.76 -31.91 65.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t -75.44 -39.63 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 pt -85.53 -20.61 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.694 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -157.24 -126.53 0.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.694 HD22 ' C ' ' A' ' 12' ' ' GLY . 3.8 mm? -130.94 157.18 78.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -5.69 16.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.748 2.299 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -27.47 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.647 ' CE1' HG23 ' A' ' 46' ' ' ILE . 61.1 m-85 -107.2 -13.78 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HA ' HD22 ' A' ' 8' ' ' LEU . 2.2 tm-20 -50.93 -59.11 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -51.08 -41.91 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -59.89 -57.18 13.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mp -51.5 -57.5 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.6 mtp -50.49 -60.32 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -19.24 49.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -92.7 17.53 10.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.16 -24.31 22.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.05 63.72 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -95.93 -27.14 15.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -105.32 122.44 45.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 2' ' ' GLN . 22.5 t -52.71 -24.01 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -53.79 -39.15 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.52 -19.94 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.419 ' HE2' ' HA ' ' A' ' 28' ' ' VAL . 50.6 mtm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.425 HG22 ' HD3' ' A' ' 126' ' ' LYS . 7.2 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.18 159.6 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -168.61 176.17 5.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.666 ' HA ' HD23 ' A' ' 41' ' ' LEU . 1.5 t70 -58.82 -38.14 77.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.39 -46.69 73.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.58 -57.09 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.79 HD11 ' HG3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -51.31 -28.22 11.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.5 tp -85.88 -38.88 17.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.474 ' HB3' HD11 ' A' ' 122' ' ' ILE . 4.8 tt0 -65.92 -25.08 66.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 41' ' ' LEU . 80.6 mt -67.07 -76.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.38 36.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.647 HG23 ' CE1' ' A' ' 16' ' ' TYR . 1.8 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.772 0.32 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.79 ' HG3' HD11 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -50.84 -60.05 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -59.02 -36.67 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -57.17 -60.63 3.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -59.18 -53.9 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mt -52.31 -64.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -49.99 -39.1 39.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.44 -53.6 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.482 ' HA ' HD12 ' A' ' 62' ' ' LEU . 61.6 mt -58.58 -39.57 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -23.73 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.3 tp -87.93 -18.89 28.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 59' ' ' ILE . 20.7 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 84.2 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.0 m -134.41 160.36 38.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.718 HG11 ' CB ' ' A' ' 94' ' ' PHE . 42.1 t -50.72 -33.01 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.98 -56.2 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -71.91 -12.1 61.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -88.08 -37.65 16.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.586 HD12 HG12 ' A' ' 78' ' ' VAL . 4.8 mt -90.45 -30.9 17.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -79.56 -4.51 51.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.3 t -116.4 11.17 14.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.2 mt -113.2 -64.7 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -156.02 -51.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.685 HD11 ' CD2' ' A' ' 90' ' ' TYR . 2.0 pt? -131.94 133.99 45.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.39 -8.35 41.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.34 -42.98 70.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.685 ' CD2' HD11 ' A' ' 87' ' ' LEU . 1.5 m-85 -52.94 -27.88 20.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.447 HG22 HD12 ' A' ' 95' ' ' LEU . 87.6 m -45.91 -35.19 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -61.02 -54.8 40.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.81 87.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.718 ' CB ' HG11 ' A' ' 78' ' ' VAL . 19.2 m-85 -55.34 -47.65 75.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.447 HD12 HG22 ' A' ' 91' ' ' THR . 9.6 mt -61.7 -62.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.1 pt -53.81 -26.4 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -73.93 -32.69 63.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.58 13.88 5.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.678 ' OH ' HD13 ' A' ' 108' ' ' ILE . 84.5 m-85 -88.02 95.65 10.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 110.897 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.68 -31.8 6.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -99.61 168.96 9.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.1 mmt -83.86 -53.54 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -49.57 -33.89 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.01 -41.3 71.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.611 HD23 ' CD1' ' A' ' 99' ' ' TYR . 21.8 mt -64.49 -22.9 67.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -95.4 4.53 53.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -98.13 -24.53 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.678 HD13 ' OH ' ' A' ' 99' ' ' TYR . 39.2 pt -86.88 152.87 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -104.06 -177.66 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -52.05 -64.38 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.3 p -50.36 -41.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 116' ' ' VAL . 18.4 mm-40 -59.36 -40.87 87.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.641 HD21 ' HB ' ' A' ' 119' ' ' ILE . 2.3 tt -69.5 -39.28 77.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 39.3 mt -77.44 -17.33 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.93 -21.94 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 112' ' ' GLU . 89.1 t -104.56 -56.97 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.486 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.4 mm? -84.53 -25.12 28.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt 58.98 47.93 11.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.641 ' HB ' HD21 ' A' ' 113' ' ' LEU . 13.4 mt -94.37 102.39 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -97.44 -36.71 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.5 tp -51.01 129.18 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.474 HD11 ' HB3' ' A' ' 43' ' ' GLU . 44.7 mt -62.73 -47.86 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.37 -63.62 4.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -57.85 -53.7 55.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -66.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.425 ' HD3' HG22 ' A' ' 35' ' ' VAL . 22.2 ttmm -52.47 -41.47 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -64.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.511 HD11 HD11 ' A' ' 113' ' ' LEU . 33.3 pt -61.71 -31.35 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 129' ' ' LEU . 12.2 mt -61.54 -48.33 81.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.19 -38.94 72.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 p -64.12 -43.69 94.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.29 -51.31 31.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.939 0.4 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -121.6 137.12 54.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.0 t -50.09 -44.71 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.22 -43.71 84.06 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.25 -57.16 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.7 t90 -53.45 -44.67 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 11' ' ' ILE . 8.9 tp -64.3 -46.18 84.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.58 -30.27 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -75.8 -57.08 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.618 HG21 ' HB1' ' A' ' 58' ' ' ALA . 27.6 pt -58.15 -32.5 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.98 -114.46 0.36 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.517 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 mt -134.7 159.0 73.83 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.681 0.753 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 75.87 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.406 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -119.59 -29.26 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.508 ' H ' HD21 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -101.49 1.56 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.11 -66.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -52.42 -51.65 58.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.36 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -49.65 -55.83 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.97 -60.88 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.51 -20.55 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -91.64 13.86 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.4 -23.7 26.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -77.06 66.86 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.962 0.41 . . . . 0.0 110.839 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -98.41 -22.22 16.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -122.42 127.68 49.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -53.44 -32.32 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -57.72 -27.73 63.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.78 -25.98 43.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.737 ' O ' HG12 ' A' ' 35' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 31' ' ' MET . 7.4 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.837 0.351 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.95 147.37 5.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.94 176.29 8.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.29 -48.14 82.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -51.67 -39.18 57.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -67.81 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -46.93 -33.53 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 tp -77.69 -44.89 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' HB3' HD11 ' A' ' 122' ' ' ILE . 43.1 tt0 -56.14 -35.52 67.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 41' ' ' LEU . 70.8 mt -53.19 -73.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.99 73.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.3 mm . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 111.166 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -39.03 57.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -62.23 -54.27 43.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -54.6 -55.9 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.77 -33.14 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 56' ' ' LEU . 7.5 mt -61.55 -58.16 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -63.15 -32.78 74.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.618 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -69.71 -40.38 76.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.735 HD11 ' CG ' ' A' ' 31' ' ' MET . 10.3 tp -86.65 -12.9 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -97.45 -22.43 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 61' ' ' LEU . 4.2 tt -116.39 -40.56 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 58' ' ' ALA . 3.8 mm? . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.606 0.717 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.815 0.34 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 m -74.75 173.8 10.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.77 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.9 t -54.86 -41.37 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.38 -70.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -51.38 -40.05 58.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.5 ' CH2' HD11 ' A' ' 132' ' ' LEU . 14.7 t90 -57.52 -68.42 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.99 -28.47 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -56.94 -23.62 46.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -100.47 -12.12 19.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 85' ' ' ILE . 9.7 mm -90.53 12.35 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 66.89 13.73 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.42 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.3 mm? -109.51 178.4 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.67 -53.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.35 -39.25 45.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.42 ' CD2' HD12 ' A' ' 87' ' ' LEU . 25.4 m-85 -52.83 -32.47 44.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -46.2 -35.73 5.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -65.04 -57.09 9.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.65 -47.28 86.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -56.26 -47.03 79.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.23 -61.07 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.8 pt -56.04 -25.03 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -75.3 -27.17 59.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.48 11.31 15.38 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.432 ' CE2' HD21 ' A' ' 117' ' ' LEU . 77.2 m-85 -80.8 97.91 7.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.961 0.41 . . . . 0.0 110.96 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.64 -48.28 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.196 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.42 ' H ' HD12 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -99.67 137.67 37.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -33.22 74.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -41.88 62.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.42 HD12 ' H ' ' A' ' 101' ' ' SER . 6.0 mt -58.98 -30.6 68.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.438 ' HB3' HD13 ' A' ' 132' ' ' LEU . 24.5 mt -61.63 -24.08 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -93.78 16.61 13.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.29 21.43 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.7 pt -128.75 162.92 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -113.76 177.94 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.694 ' OE2' HD11 ' A' ' 114' ' ' ILE . 35.1 tp10 -53.17 -59.3 4.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -51.2 -42.59 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 116' ' ' VAL . 64.9 mm-40 -60.39 -43.41 96.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.73 HD11 HD12 ' A' ' 119' ' ' ILE . 28.3 tp -65.09 -38.56 91.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.694 HD11 ' OE2' ' A' ' 110' ' ' GLU . 47.9 mt -80.27 -17.56 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.33 -19.05 20.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 112' ' ' GLU . 93.1 t -107.68 -55.2 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.532 HD23 HD12 ' A' ' 113' ' ' LEU . 3.4 mm? -90.34 -28.1 18.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 49.38 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.73 HD12 HD11 ' A' ' 113' ' ' LEU . 22.8 mt -95.55 97.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -93.07 -21.26 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.9 tp -65.66 118.42 9.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.449 HD11 ' HB3' ' A' ' 43' ' ' GLU . 65.7 mt -54.38 -44.45 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.04 -73.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.547 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -49.12 -52.28 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.723 0.296 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -50.78 -65.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -51.8 -34.99 42.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.43 -66.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.413 HD11 HD12 ' A' ' 119' ' ' ILE . 16.2 pt -62.44 -36.09 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.4 tp -60.27 -59.84 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 35' ' ' VAL . . . -63.94 -30.37 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -67.41 -52.19 42.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.902 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.5 HD11 ' CH2' ' A' ' 81' ' ' TRP . 44.6 mt -69.4 -52.28 28.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 m -115.69 124.87 51.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.2 t -51.6 -43.4 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.22 70.03 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -58.22 -52.8 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.46 ' CE2' HD13 ' A' ' 11' ' ' ILE . 57.9 t90 -60.24 -56.04 26.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.706 HD21 ' HB2' ' A' ' 16' ' ' TYR . 12.2 tp -56.9 -27.67 61.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -76.23 -39.83 53.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 t -67.49 -43.21 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.46 HD13 ' CE2' ' A' ' 7' ' ' TRP . 27.3 pt -81.1 -30.53 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.37 -107.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -153.03 159.25 32.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -8.23 23.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -54.06 -27.19 30.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.731 ' CE1' HG23 ' A' ' 46' ' ' ILE . 92.9 m-85 -102.34 -13.84 17.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -51.6 -54.28 29.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -51.62 -49.59 61.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -53.6 56.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.798 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.73 -58.98 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.9 ttm -51.03 -56.39 12.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.22 -22.92 53.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' HA ' HD11 ' A' ' 121' ' ' LEU . 1.4 m-80 -93.33 19.69 7.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.48 -24.57 22.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -78.29 70.04 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -102.55 -24.96 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -117.58 126.42 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.9 t -57.43 -22.06 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -57.67 -30.11 65.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.57 -25.98 29.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.604 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.889 0.376 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.458 ' HB2' HD13 ' A' ' 59' ' ' ILE . 10.3 mtp -52.16 151.0 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -126.96 170.41 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -50.02 69.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -58.21 -44.56 88.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.85 -66.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 pp -51.28 -31.17 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.7 tp -73.42 -35.38 65.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.763 ' HB3' HD11 ' A' ' 122' ' ' ILE . 2.3 tt0 -74.74 -30.19 61.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.9 mm -49.66 -67.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.19 39.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.731 HG23 ' CE1' ' A' ' 16' ' ' TYR . 6.2 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.791 0.329 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -51.58 -58.0 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -55.29 -31.06 61.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -66.0 -58.1 6.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.401 HD12 ' CD1' ' A' ' 46' ' ' ILE . 58.9 mt -61.42 -33.12 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 56' ' ' LEU . 12.1 mt -65.78 -62.98 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -59.23 -35.47 73.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.15 -61.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.645 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -58.68 -25.16 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -76.93 -43.9 33.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.81 -15.16 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 59' ' ' ILE . 6.7 mt . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.835 0.35 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 m -76.85 161.64 28.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.672 HG21 ' HB3' ' A' ' 99' ' ' TYR . 61.7 t -52.97 -36.03 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.85 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -61.6 -18.07 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.604 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 10.0 t90 -76.64 -51.94 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 85' ' ' ILE . 11.0 mt -76.2 -39.71 54.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.33 -25.54 67.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.0 t -89.68 5.24 46.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.525 HD11 ' OG ' ' A' ' 131' ' ' SER . 70.9 mt -110.46 -74.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -174.1 -52.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 90' ' ' TYR . 3.8 mm? -51.48 -79.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.07 -54.43 4.23 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -50.28 -41.5 50.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.498 ' CD2' HD12 ' A' ' 87' ' ' LEU . 5.1 m-85 -51.22 -28.14 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.422 HG22 HD12 ' A' ' 95' ' ' LEU . 92.4 m -44.76 -38.18 4.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.81 -59.67 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.38 76.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.06 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.656 ' HB3' HG11 ' A' ' 78' ' ' VAL . 9.4 m-85 -58.49 -53.91 53.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.422 HD12 HG22 ' A' ' 91' ' ' THR . 5.9 mt -54.41 -57.23 12.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.3 pt -59.15 -27.59 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -73.76 -17.67 61.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.0 12.3 14.42 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.672 ' HB3' HG21 ' A' ' 78' ' ' VAL . 70.6 m-85 -90.07 98.7 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 0.0 110.904 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.41 -20.66 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.423 ' H ' HD12 ' A' ' 104' ' ' LEU . 6.7 m -127.25 127.49 44.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.484 ' HG3' HD12 ' A' ' 105' ' ' LEU . 8.3 ttm -54.37 -32.88 57.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -51.27 -44.75 61.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.423 HD12 ' H ' ' A' ' 101' ' ' SER . 9.7 mt -54.9 -31.61 60.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.484 HD12 ' HG3' ' A' ' 102' ' ' MET . 25.3 mt -61.97 -19.61 62.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -22.03 60.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -103.25 17.99 22.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.8 mm -99.16 128.6 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -102.97 172.02 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.064 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -54.45 -64.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.2 p -49.68 -45.89 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 116' ' ' VAL . 4.4 mm-40 -58.71 -36.66 74.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.564 HD11 ' CD1' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -70.58 -39.54 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.469 ' N ' HD23 ' A' ' 113' ' ' LEU . 40.1 mt -76.38 -20.59 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -91.94 -27.57 17.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 112' ' ' GLU . 98.8 t -96.64 -58.38 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 117' ' ' LEU . 3.3 mm? -84.28 -39.06 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.8 mttt 64.4 47.05 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.564 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.8 mt -67.07 -62.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.6 t30 50.15 49.36 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.509 HD23 ' CD2' ' A' ' 124' ' ' HIS . 12.1 tp -145.53 127.45 15.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 43' ' ' GLU . 7.6 mm -52.97 -64.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -44.99 -66.45 1.47 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.509 ' CD2' HD23 ' A' ' 121' ' ' LEU . 28.8 m170 -49.85 -46.89 51.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.14 -63.82 1.03 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.53 -42.32 54.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -57.94 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.604 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 49.4 mt -63.39 -54.26 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.6 tp -50.51 -31.97 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.47 -47.45 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.525 ' OG ' HD11 ' A' ' 85' ' ' ILE . 32.4 t -63.89 -26.57 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.7 mt -87.19 -45.17 10.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.496 179.871 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.79 0.329 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 m -152.75 134.14 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -52.35 -49.17 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.46 -41.4 88.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.4 -52.11 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.724 0.297 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.407 ' NE1' HD11 ' A' ' 62' ' ' LEU . 40.8 t90 -61.49 -53.21 59.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.694 HD12 HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -54.16 -44.29 71.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.79 -36.1 81.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.7 t -65.7 -39.16 90.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.511 HG21 ' HB1' ' A' ' 58' ' ' ALA . 49.3 pt -82.51 -25.08 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.03 -112.18 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.0 159.19 43.61 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.569 0.699 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 73.28 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.47 2.11 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -137.93 10.07 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.65 -55.53 22.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -56.56 -49.39 74.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.73 -59.17 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.694 HD22 HD12 ' A' ' 8' ' ' LEU . 3.0 mp -50.21 -59.43 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.1 ttm -50.51 -57.03 9.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.63 -23.33 50.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -93.24 20.33 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.91 -24.44 21.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.409 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.23 69.63 4.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.37 -24.49 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -121.39 129.72 53.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 t -59.15 -23.06 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -59.88 -21.92 61.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.62 -20.48 56.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.545 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.487 ' HB3' HG21 ' A' ' 59' ' ' ILE . 3.0 ttt -52.15 107.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -79.64 158.69 26.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -53.42 -44.27 68.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.72 -55.76 10.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.58 -50.42 72.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.665 HD11 HD12 ' A' ' 55' ' ' ILE . 16.6 tp -49.04 -53.08 21.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.616 HD23 ' HD2' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -68.39 -29.45 68.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -67.3 -31.21 71.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 41' ' ' LEU . 28.4 mt -63.54 -74.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.68 52.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.442 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.3 mm . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.883 0.373 . . . . 0.0 111.107 -179.951 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.616 ' HD2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -51.3 -63.6 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -52.34 -37.66 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 tpt85 -56.74 -63.17 1.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.665 HD12 HD11 ' A' ' 41' ' ' LEU . 78.7 mt -59.59 -34.37 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.61 -63.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.418 ' HG2' HD12 ' A' ' 61' ' ' LEU . 32.0 tt0 -57.72 -34.29 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.511 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -66.74 -69.63 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.633 HD12 HD12 ' A' ' 62' ' ' LEU . 4.6 tp -52.46 -28.97 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -79.14 -32.87 44.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.418 HD12 ' HG2' ' A' ' 57' ' ' GLN . 19.4 mt -80.38 -20.55 43.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 59' ' ' ILE . 37.5 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.986 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.752 0.31 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -171.52 161.52 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.498 HG11 ' CB ' ' A' ' 94' ' ' PHE . 40.5 t -51.15 -37.63 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.72 -55.76 26.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -70.78 -14.85 62.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.446 ' CE3' HG13 ' A' ' 78' ' ' VAL . 9.6 t90 -81.51 -39.07 25.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.449 HD12 HG12 ' A' ' 78' ' ' VAL . 7.5 mt -91.15 -43.45 9.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -26.89 62.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.0 m -83.67 -12.87 55.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.482 HD11 ' OG ' ' A' ' 131' ' ' SER . 85.1 mt -88.09 -72.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.573 ' HB3' HD23 ' A' ' 87' ' ' LEU . 5.8 tt0 -159.78 -54.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD21 ' HD2' ' A' ' 127' ' ' ARG . 0.9 OUTLIER -120.63 123.3 42.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.99 -2.8 58.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -54.0 -40.87 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 87' ' ' LEU . 8.1 m-85 -51.93 -29.71 21.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.0 m -45.08 -36.84 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.591 ' O ' HG23 ' A' ' 96' ' ' ILE . 4.9 mmtm -62.22 -50.04 73.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.401 ' HA ' HG12 ' A' ' 96' ' ' ILE . . . -63.08 -47.13 84.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.498 ' CB ' HG11 ' A' ' 78' ' ' VAL . 21.9 m-85 -55.73 -47.58 76.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 40.9 mt -63.1 -62.97 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.591 HG23 ' O ' ' A' ' 92' ' ' LYS . 25.8 pt -49.88 -29.59 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -73.95 -36.04 64.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.53 -11.46 4.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.634 ' CD1' HD23 ' A' ' 105' ' ' LEU . 97.7 m-85 -65.45 97.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.888 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.99 -40.43 6.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.6 m -107.05 163.29 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.4 ttm -74.03 -43.23 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.43 -39.11 31.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 104' ' ' LEU . 2.0 tt -57.83 -37.7 74.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.634 HD23 ' CD1' ' A' ' 99' ' ' TYR . 12.3 mt -64.88 -20.0 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -86.61 -8.34 57.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -93.8 18.26 10.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.3 pt -138.93 142.65 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.587 ' HB3' ' OE1' ' A' ' 112' ' ' GLU . . . -98.5 -173.09 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -52.84 -62.32 1.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 112' ' ' GLU . 4.0 p -49.55 -42.66 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.162 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.587 ' OE1' ' HB3' ' A' ' 109' ' ' ALA . 11.7 mp0 -60.76 -40.09 91.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.722 HD11 HD12 ' A' ' 119' ' ' ILE . 38.8 tp -68.16 -38.45 82.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.9 mt -80.8 -16.57 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.89 -21.02 17.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.488 HG12 HD22 ' A' ' 117' ' ' LEU . 93.6 t -102.43 -52.47 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.518 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.8 mm? -91.31 9.99 29.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.2 pttt 39.02 45.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.722 HD12 HD11 ' A' ' 113' ' ' LEU . 57.9 mt -93.01 98.59 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -94.84 -34.24 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.42 HD23 ' CD2' ' A' ' 124' ' ' HIS . 3.2 tp -51.54 124.96 13.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.24 -50.16 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.05 -64.29 3.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.42 ' CD2' HD23 ' A' ' 121' ' ' LEU . 35.4 m170 -53.19 -53.78 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.732 0.301 . . . . 0.0 110.811 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -28.37 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -63.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.615 ' HD2' HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -48.02 -41.14 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.523 HD12 HD13 ' A' ' 119' ' ' ILE . 21.1 mt -71.58 -50.99 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 63.0 tp -51.1 -47.45 61.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.74 -43.07 69.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.482 ' OG ' HD11 ' A' ' 85' ' ' ILE . 35.5 t -57.67 -32.45 67.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.62 -51.63 8.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.436 179.872 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -126.76 128.91 47.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.7 t -51.11 -50.46 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.66 -48.01 67.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.417 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -58.26 -57.3 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.517 ' CH2' HD13 ' A' ' 59' ' ' ILE . 52.7 t90 -57.23 -57.68 11.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.771 HD21 ' HB2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -52.06 -33.73 40.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -76.96 -30.55 56.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.5 t -78.7 -23.75 45.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 pt -102.22 -20.25 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.412 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -142.83 -137.82 3.37 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.409 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.412 HD22 ' C ' ' A' ' 12' ' ' GLY . 4.0 mm? -116.53 157.58 45.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.576 0.703 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -169.72 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 63.34 13.34 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.771 ' HB2' HD21 ' A' ' 8' ' ' LEU . 3.2 m-85 -109.97 -24.84 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -54.35 -44.57 72.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -51.51 -48.45 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.51 -53.47 47.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 8' ' ' LEU . 1.1 mp -53.44 -61.29 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.26 -51.96 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.57 -27.95 65.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.562 ' HA ' HD11 ' A' ' 121' ' ' LEU . 1.7 m-80 -88.51 7.8 31.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.65 -24.02 31.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.404 ' HD2' HD11 ' A' ' 44' ' ' ILE . 2.4 m-85 -79.67 61.9 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -99.39 -17.35 18.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -120.91 124.75 45.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.38 -31.31 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.86 -25.16 55.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 -30.91 59.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.632 ' HG3' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.818 0.342 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.613 ' HB3' HG21 ' A' ' 59' ' ' ILE . 10.6 tpp -52.59 101.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -71.33 162.2 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.58 ' HA ' HD23 ' A' ' 41' ' ' LEU . 1.1 p30 -61.2 -48.75 80.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -54.81 -37.64 66.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.87 -62.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.58 HD23 ' HA ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -50.79 -29.26 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -84.82 -33.08 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.973 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.552 ' CB ' HD11 ' A' ' 122' ' ' ILE . 2.9 mt-10 -66.77 -34.55 78.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.41 HD11 HG21 ' A' ' 122' ' ' ILE . 23.5 mm -50.85 -73.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.32 36.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.448 HD12 ' CE2' ' A' ' 16' ' ' TYR . 34.0 mm . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 111.143 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.7 t60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.786 0.327 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.66 -58.98 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -54.09 -39.14 66.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -57.33 -61.15 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.73 -32.13 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.89 -71.55 0.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -33.18 25.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.86 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.632 HD11 ' HG3' ' A' ' 31' ' ' MET . 7.8 tp -66.63 -11.83 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -99.83 -27.19 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.4 tp -89.91 -46.91 8.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.805 0.336 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -164.94 174.71 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.642 HG11 ' HB3' ' A' ' 94' ' ' PHE . 38.9 t -51.33 -40.01 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.97 -63.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -51.41 -31.95 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.574 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 5.1 t90 -70.43 -60.75 2.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.05 -22.33 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.14 -26.4 38.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -96.97 -14.99 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 85' ' ' ILE . 10.7 mm -88.84 10.67 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 59.03 28.05 17.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.636 HD22 ' CD2' ' A' ' 90' ' ' TYR . 13.5 mt -127.42 145.16 50.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.39 -44.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -53.08 -40.62 64.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.636 ' CD2' HD22 ' A' ' 87' ' ' LEU . 5.9 m-85 -51.91 -31.22 27.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.1 m -49.16 -38.26 24.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -61.29 -55.71 28.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.49 86.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.642 ' HB3' HG11 ' A' ' 78' ' ' VAL . 7.8 m-85 -55.72 -45.1 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.96 -63.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.5 pt -52.63 -29.06 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.182 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -68.25 -35.1 77.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.17 12.25 5.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.758 ' CD1' HD12 ' A' ' 104' ' ' LEU . 87.1 m-85 -86.34 97.64 10.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.3 p -113.15 -37.96 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -105.17 137.02 43.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.648 ' SD ' HD12 ' A' ' 105' ' ' LEU . 12.2 tpp -54.64 -47.74 73.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -47.44 -33.99 6.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.758 HD12 ' CD1' ' A' ' 99' ' ' TYR . 1.8 tm? -54.97 -44.32 74.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.648 HD12 ' SD ' ' A' ' 102' ' ' MET . 19.8 mt -61.83 -21.79 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -68.15 -22.15 64.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.427 ' O ' HD12 ' A' ' 108' ' ' ILE . 41.6 mtpt -99.54 20.17 14.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 107' ' ' LYS . 1.4 mp -117.13 139.48 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.16 -172.66 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.034 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -57.2 -56.51 20.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 112' ' ' GLU . 4.7 p -55.17 -44.66 75.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 111' ' ' VAL . 6.4 mm-40 -61.8 -35.56 78.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.913 HD11 HD12 ' A' ' 119' ' ' ILE . 14.8 tp -69.5 -44.68 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.9 mt -78.38 -15.26 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -96.86 -21.9 17.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.75 -56.71 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.44 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.8 mm? -83.92 -20.31 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt 58.72 46.94 13.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.913 HD12 HD11 ' A' ' 113' ' ' LEU . 32.1 mt -92.25 117.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -117.98 -28.04 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.562 HD11 ' HA ' ' A' ' 23' ' ' ASN . 15.0 tp -51.69 131.54 30.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.552 HD11 ' CB ' ' A' ' 43' ' ' GLU . 7.0 mm -54.75 -65.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -45.14 -63.31 2.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.544 ' CD2' HD23 ' A' ' 121' ' ' LEU . 30.3 m170 -51.93 -41.27 61.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -61.98 -69.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -49.7 -45.02 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -55.14 -69.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.641 HD12 HD13 ' A' ' 119' ' ' ILE . 76.5 mt -52.12 -53.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.4 OUTLIER -51.49 -35.47 40.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.6 -49.23 55.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.1 p -56.23 -43.54 78.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 67.8 mt -75.22 -34.58 61.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.395 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m -160.0 137.26 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.8 t -49.72 -30.6 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.81 -54.41 33.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -67.12 -47.04 72.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -56.82 -57.2 13.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -58.14 -46.97 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.39 -34.6 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -68.87 -53.56 20.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.782 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.1 pt -65.83 -23.65 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.25 -105.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.4 mt -155.13 157.83 31.91 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.575 0.703 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 72.85 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.667 2.245 . . . . 0.0 112.267 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.46 -26.88 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.505 ' CE2' HG23 ' A' ' 46' ' ' ILE . 9.3 m-85 -113.35 -2.49 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -52.56 -46.95 67.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -58.53 -52.84 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -54.08 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.506 HD23 ' HB3' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -51.45 -61.49 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.4 mtp -50.33 -53.39 29.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.58 -24.27 63.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.549 ' HA ' HD11 ' A' ' 121' ' ' LEU . 4.4 t-20 -94.1 19.71 8.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.98 -24.19 22.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.506 ' HB3' HD23 ' A' ' 20' ' ' LEU . 3.2 m-85 -79.07 68.66 5.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -107.69 -10.28 15.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -125.85 129.12 48.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.2 t -59.3 -21.39 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.16 -24.77 65.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.71 -21.6 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.875 0.369 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.424 ' CB ' HD13 ' A' ' 59' ' ' ILE . 20.5 ttm -59.37 123.85 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -97.68 -178.01 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.17 -35.87 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -54.11 -60.99 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.28 -40.82 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.605 HD21 ' CB ' ' A' ' 52' ' ' ARG . 7.2 tp -48.91 -52.12 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.66 -35.34 62.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -61.94 -25.66 67.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.43 HD13 HD12 ' A' ' 122' ' ' ILE . 8.8 mm -73.07 -69.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.19 42.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.531 HD13 HD12 ' A' ' 41' ' ' LEU . 4.4 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.116 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.76 0.314 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.605 ' CB ' HD21 ' A' ' 41' ' ' LEU . 48.6 mtp180 -52.13 -49.32 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.04 -51.86 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.41 -61.19 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.503 HD12 HG21 ' A' ' 46' ' ' ILE . 60.5 mt -59.03 -31.25 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.475 ' HG ' HD22 ' A' ' 41' ' ' LEU . 8.6 mt -64.97 -58.48 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -61.87 -43.96 97.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.01 -59.09 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.424 HD13 ' CB ' ' A' ' 36' ' ' MET . 1.5 tt -61.89 -27.31 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.01 -44.11 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.25 -65.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.8 tp . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.872 179.901 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.756 0.313 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.3 m -126.94 163.53 23.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.546 HG11 ' HB3' ' A' ' 94' ' ' PHE . 64.7 t -51.53 -38.44 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.04 -61.91 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -51.94 -30.93 26.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.524 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 7.1 t90 -76.0 -60.02 2.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.53 -27.74 17.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.62 -23.98 44.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -74.83 -22.39 58.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.624 ' HB ' HD12 ' A' ' 87' ' ' LEU . 1.8 mm -94.94 23.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 39.82 42.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.624 HD12 ' HB ' ' A' ' 85' ' ' ILE . 3.9 mt -110.99 -79.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.52 -52.46 4.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.88 -46.54 51.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.486 ' CD2' HD22 ' A' ' 87' ' ' LEU . 1.8 m-85 -53.8 -32.89 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.7 m -47.95 -34.1 8.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -64.41 -56.51 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.61 -44.29 89.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.546 ' HB3' HG11 ' A' ' 78' ' ' VAL . 11.6 m-85 -58.71 -47.72 83.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.95 -59.09 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.0 pt -56.8 -28.98 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -72.45 -26.46 61.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.87 5.08 20.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.717 ' CD1' HD11 ' A' ' 104' ' ' LEU . 90.9 m-85 -75.85 96.65 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.906 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.54 -30.67 8.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.178 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.466 ' HB2' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -102.0 170.67 7.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.5 ttt -101.67 -42.33 6.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.85 -41.35 64.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.717 HD11 ' CD1' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -59.61 -29.3 67.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.7 mt -59.18 -22.23 60.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -98.14 22.74 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -123.05 19.46 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.945 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 9.9 pt -125.54 162.73 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -112.18 -174.37 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.8 -57.14 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.7 p -51.31 -43.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.2 mm-40 -62.69 -47.41 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.991 HD11 HD12 ' A' ' 119' ' ' ILE . 11.8 tp -59.65 -36.35 76.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.7 mt -84.14 -19.05 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -93.0 -14.04 27.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 112' ' ' GLU . 61.3 t -114.68 -52.23 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.636 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.3 mm? -94.87 -25.78 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.1 tptm 64.81 46.29 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.991 HD12 HD11 ' A' ' 113' ' ' LEU . 24.8 mt -89.96 95.34 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -96.28 -32.95 12.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 23' ' ' ASN . 13.8 tp -51.84 124.26 12.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.43 HD12 HD13 ' A' ' 44' ' ' ILE . 73.1 mt -55.34 -51.06 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.89 -70.37 0.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.464 ' CE1' HD23 ' A' ' 121' ' ' LEU . 35.1 m170 -51.19 -36.29 40.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -67.69 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -44.24 76.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -51.84 -60.63 2.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.524 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 74.6 mt -59.12 -49.08 84.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.213 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.3 mp -51.61 -40.81 60.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.41 -43.05 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 t -56.86 -35.18 68.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.0 mt -82.91 -48.99 10.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.846 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.894 0.378 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.47 HG22 ' H ' ' A' ' 5' ' ' GLY . 17.3 m -118.84 133.43 55.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.63 ' CG1' HD22 ' A' ' 20' ' ' LEU . 84.4 t -51.57 -36.69 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 3' ' ' THR . . . -63.49 -42.46 98.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -69.06 -47.57 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.436 ' CE2' HD11 ' A' ' 62' ' ' LEU . 56.2 t90 -64.04 -45.01 90.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.39 -51.47 67.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.71 -27.81 68.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.7 t -71.41 -43.66 66.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 pt -79.64 -32.45 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.695 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -149.44 -122.78 1.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 12' ' ' GLY . 4.1 mm? -132.8 157.27 78.77 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.625 0.726 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 74.06 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -125.35 -4.96 7.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -131.2 2.65 4.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.86 -62.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -49.53 -50.16 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -48.26 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.63 HD22 ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -53.52 -64.8 0.71 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.4 ptp -54.54 -45.69 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.3 67.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -95.93 19.64 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.64 -22.83 31.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.612 ' HB3' HD23 ' A' ' 20' ' ' LEU . 3.4 m-85 -78.96 68.6 4.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.914 0.388 . . . . 0.0 110.961 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -104.72 -24.53 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.1 122.05 43.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.8 t -51.07 -27.15 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -53.95 -41.16 67.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' HD3' ' A' ' 127' ' ' ARG . . . -59.37 -23.54 62.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.617 ' HB3' HD11 ' A' ' 59' ' ' ILE . 5.8 mmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.823 0.344 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttt -51.61 110.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -105.0 172.38 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.616 ' HA ' HD23 ' A' ' 41' ' ' LEU . 8.7 p-10 -58.45 -39.49 79.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.5 -43.49 79.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.5 -56.22 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.626 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -56.64 -23.38 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 tp -92.71 -28.98 16.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HB3' HD11 ' A' ' 122' ' ' ILE . 32.5 tt0 -74.93 -36.05 62.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 41' ' ' LEU . 21.0 mt -56.33 -74.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.16 38.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.58 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 46' ' ' ILE . 16.2 mm . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.893 0.377 . . . . 0.0 111.19 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.2 m170 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.819 0.343 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HG2' HD11 ' A' ' 41' ' ' LEU . 25.3 mtp180 -53.76 -57.92 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -60.7 -35.34 76.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -60.49 -68.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.12 -40.23 54.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.66 -48.91 79.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.19 -42.53 99.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.3 -54.42 37.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 31' ' ' MET . 1.1 tp -63.68 -28.16 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -74.43 -37.49 63.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 61' ' ' LEU . 1.4 pp -90.05 -12.13 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 59' ' ' ILE . 6.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.953 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.774 0.321 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -52.78 172.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 99' ' ' TYR . 18.6 t -59.34 -46.47 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.79 -61.9 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -51.04 -42.47 60.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.419 ' CH2' HG23 ' A' ' 128' ' ' ILE . 3.1 t90 -57.9 -62.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 87' ' ' LEU . 20.9 mt -60.0 -20.77 59.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.19 -35.14 73.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.9 m -83.01 -3.76 57.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 85' ' ' ILE . 6.5 mt -120.89 26.99 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.237 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 39.87 41.04 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.637 HD22 ' CD2' ' A' ' 90' ' ' TYR . 17.6 mt -130.07 30.96 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.28 -31.79 56.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.02 -41.94 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 87' ' ' LEU . 2.8 m-85 -54.77 -26.55 35.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.8 m -49.39 -31.98 10.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -57.0 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.54 -48.26 82.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -55.69 -45.8 77.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.48 -61.54 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.8 pt -54.46 -26.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -75.34 -29.79 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.23 20.27 6.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.729 ' CD1' HD11 ' A' ' 104' ' ' LEU . 71.6 m-85 -87.85 88.94 7.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 110.972 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.8 p -97.77 -43.89 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.732 ' HB2' HD23 ' A' ' 104' ' ' LEU . 1.2 m -86.98 169.78 12.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.3 ttt -101.32 -44.95 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.5 -39.19 64.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.732 HD23 ' HB2' ' A' ' 101' ' ' SER . 1.0 OUTLIER -59.39 -29.51 67.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 99' ' ' TYR . 48.9 mt -58.11 -22.83 52.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -96.4 23.7 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -116.66 -0.98 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.4 pt -107.16 160.66 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -111.23 177.86 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -51.12 -62.66 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.6 p -50.49 -45.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 116' ' ' VAL . 49.8 mm-40 -55.71 -42.23 74.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.758 HD11 HD12 ' A' ' 119' ' ' ILE . 13.2 tp -69.37 -35.77 76.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 59.7 mt -78.15 -17.52 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -99.99 -20.74 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 112' ' ' GLU . 93.1 t -104.32 -55.54 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.692 HD23 HD12 ' A' ' 113' ' ' LEU . 3.6 mm? -87.33 -24.47 24.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt 64.2 43.5 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.758 HD12 HD11 ' A' ' 113' ' ' LEU . 26.0 mt -90.95 106.06 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -102.29 -30.0 11.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.58 HD23 ' CD2' ' A' ' 124' ' ' HIS . 6.4 tp -55.06 135.94 48.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.407 HD11 ' HB3' ' A' ' 43' ' ' GLU . 67.4 mt -69.23 -52.15 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -52.15 -45.43 57.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.58 ' CD2' HD23 ' A' ' 121' ' ' LEU . 29.4 m170 -70.86 -60.63 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.94 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -31.12 20.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -73.61 -60.83 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.61 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 47.2 mtm180 -49.93 -44.86 50.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.581 HD12 HD13 ' A' ' 119' ' ' ILE . 58.6 mt -67.52 -51.81 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 67.8 tp -50.12 -46.87 54.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.89 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -46.79 78.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.1 mt -84.89 -25.84 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.596 ' HG3' HG21 ' A' ' 28' ' ' VAL . 26.2 tp60 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.875 0.369 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -136.96 128.5 28.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.45 -30.84 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.66 -50.82 45.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.58 -44.63 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.525 ' NE1' HD11 ' A' ' 62' ' ' LEU . 66.6 t90 -61.0 -44.49 97.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 14' ' ' PRO . 5.0 tp -65.44 -50.32 65.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -23.59 66.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -79.55 -39.83 30.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 7' ' ' TRP . 46.1 pt -78.4 -26.65 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.24 -127.49 0.89 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.618 HD13 ' HD2' ' A' ' 14' ' ' PRO . 0.4 OUTLIER -107.69 126.93 28.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 0.0 110.871 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.661 ' HA ' HD23 ' A' ' 8' ' ' LEU . 52.9 Cg_endo -69.88 74.87 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.302 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -131.98 5.07 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -121.03 -7.38 9.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -51.55 -47.78 63.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -53.4 -43.57 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -57.57 8.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.72 -59.41 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 ttt -51.92 -54.82 25.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.67 -23.47 59.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -92.89 19.65 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.02 -22.8 27.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -78.38 70.33 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.96 -18.05 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -121.14 125.33 46.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.596 HG21 ' HG3' ' A' ' 2' ' ' GLN . 17.3 t -55.03 -28.64 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -59.1 -33.46 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.92 -19.35 41.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.478 ' SD ' HG13 ' A' ' 28' ' ' VAL . 10.2 mtt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.817 0.342 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.43 ' HG3' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -56.02 157.0 4.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -166.13 -171.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.33 -33.11 74.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -56.24 -60.35 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.58 -41.88 92.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 41' ' ' LEU . 7.2 tp -51.92 -44.14 63.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.9 tp -82.34 -28.68 31.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -65.47 -30.92 71.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -68.63 -74.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 151.34 39.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.815 HG21 HD12 ' A' ' 55' ' ' ILE . 15.3 mm . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 t60 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.729 0.3 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -62.69 -64.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -52.04 -34.54 43.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -64.47 -60.75 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.815 HD12 HG21 ' A' ' 46' ' ' ILE . 96.2 mt -58.52 -38.23 69.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -58.94 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -57.16 -36.91 71.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.47 -65.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.451 ' HA ' HD12 ' A' ' 62' ' ' LEU . 3.6 tt -52.5 -27.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -83.38 -32.18 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.7 tp -82.11 -16.2 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.525 HD11 ' NE1' ' A' ' 7' ' ' TRP . 19.9 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.853 0.359 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.9 t -123.46 173.41 8.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.669 HG11 ' HB3' ' A' ' 94' ' ' PHE . 61.1 t -53.07 -40.21 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.3 -75.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -50.74 -34.01 25.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.589 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 14.8 t90 -58.33 -52.85 63.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.47 -27.48 58.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.99 -6.13 49.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -110.49 9.06 23.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.72 HG22 ' HG2' ' A' ' 86' ' ' GLU . 87.8 mt -114.64 -78.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.72 ' HG2' HG22 ' A' ' 85' ' ' ILE . 4.1 pt-20 -177.25 31.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.512 HD21 ' CD2' ' A' ' 124' ' ' HIS . 8.9 mt -145.63 -179.25 6.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.8 -52.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -55.02 -35.33 64.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.506 ' CD2' HD22 ' A' ' 87' ' ' LEU . 1.8 m-85 -52.53 -30.84 32.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.9 m -49.07 -37.15 20.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -61.6 -51.78 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.29 90.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.669 ' HB3' HG11 ' A' ' 78' ' ' VAL . 12.9 m-85 -57.43 -45.84 84.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.59 -60.51 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.9 pt -53.96 -29.05 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -72.59 -28.51 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.74 8.6 13.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.49 ' O ' HG21 ' A' ' 78' ' ' VAL . 92.0 m-85 -81.25 91.65 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.981 0.419 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.98 -72.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.405 ' N ' HD21 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -77.25 -176.85 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -30.13 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -50.82 -44.02 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -60.84 -30.53 70.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.489 HD13 ' CZ3' ' A' ' 81' ' ' TRP . 48.4 mt -63.21 -17.26 62.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -90.16 10.4 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -111.58 -45.76 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.939 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 113' ' ' LEU . 24.2 pt -54.82 152.02 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.217 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -103.91 178.62 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.508 ' C ' HD12 ' A' ' 114' ' ' ILE . 3.1 mt-10 -55.14 -66.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.807 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.1 -40.56 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 116' ' ' VAL . 10.7 mm-40 -55.07 -56.49 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.683 HD13 HD12 ' A' ' 119' ' ' ILE . 0.5 OUTLIER -69.2 -26.93 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.508 HD12 ' C ' ' A' ' 110' ' ' GLU . 29.9 mt -74.7 -23.86 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.42 -22.67 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 112' ' ' GLU . 71.0 t -91.1 -54.22 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.411 HD22 HG12 ' A' ' 116' ' ' VAL . 3.7 mm? -85.72 -18.05 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt 64.34 42.71 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.683 HD12 HD13 ' A' ' 113' ' ' LEU . 17.0 mt -91.09 100.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -94.59 -34.22 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.3 tp -52.46 130.82 32.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 31.6 mt -68.13 -50.08 61.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.87 -42.0 68.58 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.512 ' CD2' HD21 ' A' ' 87' ' ' LEU . 1.6 m-70 -71.89 -60.85 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -31.98 31.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -73.69 -54.89 7.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -37.86 53.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.589 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 57.4 mt -73.71 -53.77 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -52.62 -38.33 60.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.7 -37.54 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.487 ' OG ' HD11 ' A' ' 85' ' ' ILE . 1.7 t -61.02 -34.41 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 74.9 mt -92.88 -37.77 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 5' ' ' GLY . 26.1 m -152.18 124.81 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 86.0 t -53.39 -36.5 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.458 ' H ' HG22 ' A' ' 3' ' ' THR . . . -60.61 -47.96 88.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.432 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -66.92 -49.49 65.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.75 0.309 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -59.24 -51.83 68.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.552 HD21 ' H ' ' A' ' 16' ' ' TYR . 8.4 tp -58.55 -46.8 86.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.85 -36.15 78.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -66.71 -49.88 64.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' A' ' 58' ' ' ALA . 50.0 pt -69.91 -24.24 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.38 -102.83 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 mt -152.74 157.62 33.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.404 ' HA ' HD23 ' A' ' 8' ' ' LEU . 54.1 Cg_endo -69.7 72.4 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -127.71 -1.98 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.552 ' H ' HD21 ' A' ' 8' ' ' LEU . 2.8 m-85 -126.95 -1.46 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.45 -53.92 52.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -54.55 -45.06 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -63.69 -58.04 8.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mp -51.49 -58.53 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.3 ttm -52.47 -54.85 26.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.76 59.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.549 ' HA ' HD11 ' A' ' 121' ' ' LEU . 6.4 t-20 -92.07 14.67 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.34 -23.8 28.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.7 71.74 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.804 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -103.59 -22.98 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -111.61 123.65 50.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -53.37 -27.59 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -58.22 -30.81 66.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -23.84 64.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.9 mtt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.403 ' HG2' HD12 ' A' ' 59' ' ' ILE . 0.9 OUTLIER 61.46 72.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.9 -167.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -50.95 -34.51 29.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -60.23 -57.96 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -39.66 94.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.777 HD21 ' HA ' ' A' ' 52' ' ' ARG . 13.0 tp -58.18 -41.73 84.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.46 HD22 ' NH2' ' A' ' 52' ' ' ARG . 26.8 tp -83.99 -22.29 31.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CB ' HD11 ' A' ' 122' ' ' ILE . 1.0 OUTLIER -74.56 -31.88 62.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.1 mt -67.73 -74.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.735 ' O ' HD13 ' A' ' 46' ' ' ILE . . . 167.45 60.28 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 45' ' ' GLY . 16.8 mm . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.848 0.356 . . . . 0.0 111.187 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.777 ' HA ' HD21 ' A' ' 41' ' ' LEU . 41.4 mtt180 -51.27 -64.25 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.27 -46.52 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.18 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.0 mt -51.3 -48.3 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HG ' HD22 ' A' ' 41' ' ' LEU . 12.9 mt -51.14 -58.5 5.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -52.16 -48.36 64.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.514 ' CB ' HG21 ' A' ' 11' ' ' ILE . . . -58.73 -45.36 89.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.403 HD12 ' HG2' ' A' ' 36' ' ' MET . 28.3 mm -64.34 -36.16 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.066 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -69.18 -37.94 78.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.6 mt -87.63 -72.51 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.656 0.741 . . . . 0.0 110.934 179.913 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.86 0.362 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -136.57 176.46 8.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.42 HG11 ' CB ' ' A' ' 94' ' ' PHE . 38.3 t -52.7 -40.55 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.17 -72.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.033 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -50.84 -31.86 18.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.602 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 12.6 t90 -62.79 -57.18 11.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.414 HD12 HG12 ' A' ' 78' ' ' VAL . 12.2 mt -69.45 -21.47 63.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.17 -34.7 64.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -95.14 21.78 7.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 85' ' ' ILE . 6.0 mt -134.25 23.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.163 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 56.4 23.88 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.513 HD22 ' CD2' ' A' ' 90' ' ' TYR . 22.4 mt -126.36 131.81 51.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.45 -42.99 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -54.24 -37.17 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.68 ' OH ' HG23 ' A' ' 119' ' ' ILE . 2.6 m-85 -52.85 -31.6 40.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -48.32 -36.1 13.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -65.35 -58.68 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.46 -44.51 84.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.42 ' CB ' HG11 ' A' ' 78' ' ' VAL . 7.8 m-85 -58.65 -49.27 78.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.5 mt -57.91 -57.39 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.9 pt -58.78 -28.11 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -72.81 -18.35 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.2 28.19 7.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -92.02 47.94 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -75.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.3 t -67.37 126.97 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.1 ttt -51.39 -35.01 36.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.71 -29.99 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -51.35 -47.83 62.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.23 -24.97 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -66.62 -17.65 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -127.28 50.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.8 mm -118.12 136.0 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.59 164.15 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.69 ' O ' HD23 ' A' ' 113' ' ' LEU . 37.6 mm-40 -46.99 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.6 p -48.53 -32.79 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 116' ' ' VAL . 3.9 tp10 -54.97 -63.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.844 HD12 HD12 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -67.55 -25.63 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.505 HD12 ' C ' ' A' ' 110' ' ' GLU . 48.2 mt -72.0 -26.28 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -101.71 -24.18 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 112' ' ' GLU . 86.7 t -87.76 -56.17 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.27 -16.84 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 51.27 37.78 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.844 HD12 HD12 ' A' ' 113' ' ' LEU . 81.3 mt -62.59 -62.85 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.199 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 52.09 37.36 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.598 HD23 ' CG ' ' A' ' 124' ' ' HIS . 12.2 tp -130.75 121.48 25.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.409 HD11 ' CB ' ' A' ' 43' ' ' GLU . 5.0 mm -56.62 -51.08 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.83 -56.72 19.21 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.598 ' CG ' HD23 ' A' ' 121' ' ' LEU . 44.9 m170 -61.97 -59.51 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.336 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.92 -27.56 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -74.25 -62.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -51.41 -39.43 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.602 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 58.2 mt -71.03 -51.3 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 55.9 tp -50.81 -46.68 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.65 -37.17 65.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.2 t -59.07 -34.51 72.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 55.6 mt -93.2 -54.66 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 179.899 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.924 0.392 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.575 HG22 ' H ' ' A' ' 5' ' ' GLY . 58.9 m -139.95 135.52 32.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.54 ' CG1' HD22 ' A' ' 20' ' ' LEU . 92.7 t -50.27 -39.21 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.575 ' H ' HG22 ' A' ' 3' ' ' THR . . . -61.0 -47.87 89.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.74 -53.0 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.766 0.317 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -58.86 -54.36 47.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.774 HD22 HD13 ' A' ' 20' ' ' LEU . 19.4 tp -57.69 -35.74 71.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -67.75 -39.87 84.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.9 t -66.47 -47.69 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.476 HD11 HD12 ' A' ' 8' ' ' LEU . 32.7 pt -74.55 -23.6 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.09 -103.76 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.403 HD13 ' OE1' ' A' ' 15' ' ' GLN . 97.1 mt -154.47 154.48 29.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.68 0.752 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.96 22.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.403 ' OE1' HD13 ' A' ' 13' ' ' LEU . 1.9 mp0 -53.7 -27.98 31.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.518 ' HB2' HD21 ' A' ' 8' ' ' LEU . 63.3 m-85 -101.04 -13.79 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -50.98 -47.59 61.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -51.7 -45.22 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -48.49 75.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.774 HD13 HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -52.85 -63.83 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.3 ptm -54.2 -45.87 72.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.07 67.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.487 ' HA ' HD11 ' A' ' 121' ' ' LEU . 6.3 t-20 -94.62 18.67 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.26 -20.79 44.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.436 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -78.93 63.57 3.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.45 -14.12 16.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.18 123.19 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -56.69 -22.61 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -59.32 -31.6 69.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.61 -14.45 58.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.455 ' HB3' HD11 ' A' ' 59' ' ' ILE . 2.6 mpp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.466 HG21 ' HG3' ' A' ' 126' ' ' LYS . 7.7 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.846 0.355 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.406 ' CB ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -61.14 102.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -113.21 -176.74 2.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.4 -36.66 64.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -50.99 -59.86 3.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.99 -42.43 94.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 52' ' ' ARG . 3.4 tp -50.58 -39.38 49.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -87.56 -28.1 22.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.789 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -18.08 61.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 41' ' ' LEU . 9.6 mt -74.05 -49.71 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.21 -13.77 1.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.462 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 111.138 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.811 0.338 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.744 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -51.74 -46.09 63.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -63.99 -36.23 83.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -63.28 -51.03 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.18 -51.38 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.41 -52.6 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.45 -51.94 60.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.92 -56.16 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.455 HD11 ' HB3' ' A' ' 31' ' ' MET . 2.0 tt -65.87 -29.79 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -62.0 -43.25 99.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.02 -65.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.878 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.828 0.346 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -85.65 169.56 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.71 HG11 ' CB ' ' A' ' 94' ' ' PHE . 49.2 t -52.65 -33.45 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.07 -67.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.94 -15.95 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -78.63 -37.61 41.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.585 HD12 HG12 ' A' ' 78' ' ' VAL . 5.1 mt -90.74 -38.16 13.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -66.91 -15.67 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -95.73 -17.59 21.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.733 HG22 ' HG2' ' A' ' 86' ' ' GLU . 80.9 mt -86.95 -77.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.733 ' HG2' HG22 ' A' ' 85' ' ' ILE . 62.9 mm-40 -139.75 -71.49 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -113.7 134.14 54.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.18 -4.09 55.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.448 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -56.22 -40.91 74.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.874 0.369 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 87' ' ' LEU . 6.3 m-85 -54.27 -24.58 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.037 0.446 . . . . 0.0 110.943 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.1 m -48.01 -32.5 6.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -64.28 -55.97 17.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.22 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.71 ' CB ' HG11 ' A' ' 78' ' ' VAL . 11.3 m-85 -58.84 -48.81 80.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.7 mt -60.07 -59.28 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.6 pt -56.44 -29.18 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.05 -25.45 62.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.457 ' O ' HD13 ' A' ' 104' ' ' LEU . . . 106.73 31.04 4.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.651 ' CD1' HD23 ' A' ' 105' ' ' LEU . 51.5 m-85 -98.58 34.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.963 0.411 . . . . 0.0 110.93 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 p -55.91 -29.32 59.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.0 t -101.96 129.34 48.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -48.09 81.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.78 -30.94 24.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 99' ' ' TYR . 1.3 tt -55.87 -36.93 68.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.651 HD23 ' CD1' ' A' ' 99' ' ' TYR . 12.9 mt -64.08 -23.8 67.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -5.89 58.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -104.74 26.48 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.2 pt -142.53 148.33 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.12 -175.31 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.518 ' HB2' HD21 ' A' ' 129' ' ' LEU . 36.6 tt0 -51.12 -58.19 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 112' ' ' GLU . 4.1 p -52.54 -42.94 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 116' ' ' VAL . 60.9 mm-40 -57.78 -46.11 85.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.884 HD11 HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -66.83 -37.8 85.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.1 mt -75.13 -19.82 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -97.26 -20.21 18.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 112' ' ' GLU . 97.0 t -103.06 -59.9 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 117' ' ' LEU . 3.5 mm? -78.28 -21.17 50.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt 64.2 41.92 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.884 HD12 HD11 ' A' ' 113' ' ' LEU . 25.4 mt -86.42 112.3 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.74 -33.46 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.502 HD23 ' CD2' ' A' ' 124' ' ' HIS . 12.2 tp -55.44 132.22 47.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.71 -58.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -46.65 -62.22 3.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.502 ' CD2' HD23 ' A' ' 121' ' ' LEU . 28.3 m170 -54.5 -59.04 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.57 -63.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.466 ' HG3' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -49.47 -38.78 31.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -52.71 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.523 HD12 HD21 ' A' ' 82' ' ' LEU . 20.9 mm -61.58 -57.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 110' ' ' GLU . 3.0 mp -51.47 -55.88 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.21 -44.62 71.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 t -54.96 -57.31 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.408 HD11 ' HB3' ' A' ' 105' ' ' LEU . 24.7 mt -60.55 -46.85 88.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.739 0.304 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.36 129.03 39.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -127.87 134.5 49.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.4 t -50.91 -41.87 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.97 -47.63 85.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.423 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -66.11 -56.76 9.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.661 ' NE1' HD11 ' A' ' 62' ' ' LEU . 43.2 t90 -52.56 -53.4 46.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.639 HD12 HD11 ' A' ' 11' ' ' ILE . 12.8 tp -58.03 -44.91 87.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.39 -32.9 71.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 t -71.79 -55.48 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.639 HD11 HD12 ' A' ' 8' ' ' LEU . 37.9 pt -65.02 -22.24 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.55 -107.97 0.24 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.511 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.8 mt -153.57 158.82 32.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.644 0.735 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 76.84 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -125.41 -36.16 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -101.25 0.77 38.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.45 -46.95 66.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -61.2 -48.35 81.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -57.58 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -54.05 -57.93 9.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.3 ttm -48.24 -58.77 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.47 -22.18 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.534 ' HA ' HD11 ' A' ' 121' ' ' LEU . 3.3 m120 -90.52 13.37 15.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.33 -22.16 31.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -80.29 57.4 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -95.62 -20.3 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.54 125.76 54.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.3 -23.16 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -58.92 -23.93 61.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.03 -25.37 61.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.562 ' HG3' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -119.86 26.52 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.68 -40.4 15.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -97.08 -33.58 11.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.27 104.17 7.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 60' ' ' GLN . 34.8 m -51.58 147.07 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.668 ' HB2' HD13 ' A' ' 59' ' ' ILE . 51.9 ttm -52.11 152.47 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -111.49 157.38 20.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.523 ' HB2' HD11 ' A' ' 56' ' ' LEU . 1.4 t70 -56.07 -44.4 78.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -59.15 -39.54 82.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.86 -63.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.722 ' HA ' HD12 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -51.97 -31.0 27.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.2 tp -80.66 -32.33 36.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' HB3' HD11 ' A' ' 122' ' ' ILE . 27.7 tt0 -71.06 -33.76 70.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 41' ' ' LEU . 58.7 mt -54.57 -75.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.4 65.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.6 mm -73.27 153.37 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.9 tp -51.75 -68.27 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -159.35 179.17 9.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 54.4 m -58.02 156.16 9.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.11 -9.21 54.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -113.92 -30.01 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.29 -55.93 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -57.79 -39.9 78.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -55.87 -57.24 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.56 -39.12 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 38' ' ' ASP . 6.8 mt -62.12 -62.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -57.08 -36.44 70.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 -66.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.668 HD13 ' HB2' ' A' ' 36' ' ' MET . 5.7 tt -52.57 -28.22 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.46 ' HA ' HG11 ' A' ' 35' ' ' VAL . 51.6 mt-30 -81.73 -32.43 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -81.86 -17.16 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.661 HD11 ' NE1' ' A' ' 7' ' ' TRP . 30.6 mt -48.68 107.85 0.84 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.663 0.745 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 62' ' ' LEU . 53.5 Cg_endo -69.81 78.06 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.69 4.07 6.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.4 mmt -93.5 122.62 36.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -138.74 158.69 69.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.17 8.21 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.717 2.278 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.9 mm -69.04 -22.35 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.58 64.95 2.87 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -121.2 26.94 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.2 140.33 37.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.783 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -129.54 -161.27 10.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.12 156.02 49.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.313 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -143.54 70.76 17.55 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.42 14.53 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.759 2.306 . . . . 0.0 112.325 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.7 m -110.68 -27.05 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.215 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t -149.46 178.23 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.613 HG12 HD12 ' A' ' 82' ' ' LEU . 21.9 t -55.83 -35.46 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.85 -73.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -52.93 -32.48 45.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.574 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 14.9 t90 -60.63 -56.91 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.613 HD12 HG12 ' A' ' 78' ' ' VAL . 6.5 mt -65.93 -28.55 69.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.52 -28.84 63.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -92.39 14.69 15.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 85' ' ' ILE . 5.9 mt -131.26 29.84 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 53.12 35.08 18.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.401 HD22 ' CD2' ' A' ' 90' ' ' TYR . 37.7 mt -144.49 140.81 29.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.81 -42.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -56.11 -33.16 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.506 ' OH ' HG23 ' A' ' 119' ' ' ILE . 2.9 m-85 -52.73 -29.14 25.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.2 m -48.16 -36.99 14.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -63.02 -62.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.65 -50.07 66.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.532 ' HB3' HG11 ' A' ' 78' ' ' VAL . 10.6 m-85 -54.92 -47.39 74.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.62 -61.28 2.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.9 pt -56.02 -23.36 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -76.11 -26.25 56.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.68 12.6 11.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.689 ' CD1' HD23 ' A' ' 105' ' ' LEU . 83.0 m-85 -87.04 97.65 10.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 110.968 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.72 -36.03 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.539 ' H ' HD12 ' A' ' 104' ' ' LEU . 74.5 m -111.18 138.06 48.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.1 ttm -51.77 -42.43 62.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -50.16 -39.7 44.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.539 HD12 ' H ' ' A' ' 101' ' ' SER . 90.3 mt -58.6 -35.75 72.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.689 HD23 ' CD1' ' A' ' 99' ' ' TYR . 16.0 mt -64.5 -20.08 65.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -99.91 11.39 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -112.38 22.21 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.468 HD13 ' OH ' ' A' ' 99' ' ' TYR . 32.1 pt -131.24 158.01 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -106.21 177.02 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -50.86 -62.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.8 p -51.47 -44.0 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.203 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 111' ' ' VAL . 70.0 mm-40 -59.24 -35.44 73.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.712 HD11 HD12 ' A' ' 119' ' ' ILE . 9.6 tp -71.4 -50.71 29.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 51.0 mt -70.38 -16.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -94.43 -31.81 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 64.1 t -92.71 -61.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.663 ' HB2' HD12 ' A' ' 113' ' ' LEU . 4.0 mm? -70.7 -27.4 63.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.53 42.57 27.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.712 HD12 HD11 ' A' ' 113' ' ' LEU . 96.2 mt -69.32 -57.35 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 51.47 46.64 26.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 23' ' ' ASN . 13.2 tp -149.31 116.6 6.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.402 HD11 ' HB3' ' A' ' 43' ' ' GLU . 68.0 mt -50.74 -49.21 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.45 -73.92 0.33 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -52.02 -34.83 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -63.5 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -41.12 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -54.42 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.574 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 53.7 mt -62.02 -46.68 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.5 tp -51.61 -42.43 61.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.01 -37.89 64.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 p -59.26 -40.1 84.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.3 mt -80.83 -48.5 12.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.41 51.69 3.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.537 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -52.57 -58.3 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.86 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.748 0.309 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -95.06 130.55 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.23 131.78 54.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.14 -47.18 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.48 -36.71 85.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.91 -52.08 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -62.25 -48.66 78.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.73 -49.26 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.39 -34.99 77.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 t -65.83 -46.99 76.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.447 HG21 ' HB1' ' A' ' 58' ' ' ALA . 40.1 pt -75.19 -24.74 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.2 -107.02 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.6 mt -154.61 158.42 32.25 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.599 0.714 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 73.47 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -119.52 -23.07 6.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -118.41 16.07 13.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.949 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -63.14 -52.69 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -54.74 -51.37 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.27 -55.57 29.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -60.28 3.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.3 ttt -51.21 -56.77 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.54 -22.86 47.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -93.35 18.62 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.39 -23.71 26.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -77.86 64.88 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -95.9 -21.68 17.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -132.93 128.75 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.1 t -54.96 -25.84 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -59.27 -21.99 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.86 -19.52 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 36.3 mtt -85.2 4.94 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.19 124.28 27.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t 61.67 38.33 15.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -174.57 174.73 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 m -152.68 134.7 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.4 mtp -51.98 157.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -144.49 177.11 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.49 -40.4 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -52.87 -63.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.9 -45.71 78.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.663 HD13 HD13 ' A' ' 46' ' ' ILE . 1.2 mm? -51.92 -55.74 18.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.828 HD21 HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -68.82 -22.53 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -76.29 -27.46 56.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.7 mt -81.26 -71.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.58 46.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.663 HD13 HD13 ' A' ' 41' ' ' LEU . 3.6 mp -93.82 -26.49 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 111.166 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.828 HD22 HD21 ' A' ' 42' ' ' LEU . 23.2 tp -63.26 -15.85 58.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -50.2 -39.76 45.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.04 -65.92 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.98 64.11 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -126.81 8.63 6.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.798 0.333 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.685 HH11 HD23 ' A' ' 42' ' ' LEU . 14.7 ttp180 -57.22 -61.03 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -50.16 -47.69 54.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -54.06 -65.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.2 mt -52.58 -41.46 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.59 -54.13 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -59.3 -40.08 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -64.76 -62.65 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -55.76 -29.14 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.095 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -76.01 -37.02 58.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -78.34 -22.3 48.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 59' ' ' ILE . 24.5 mt -51.49 158.37 1.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.699 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -22.47 31.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.37 41.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.2 mmm -151.01 167.51 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.78 159.83 2.43 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.593 0.711 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -13.1 34.1 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.662 2.242 . . . . 0.0 112.386 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.7 mm -51.77 -38.73 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.3 -103.26 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.2 t60 63.13 43.23 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -111.72 158.02 19.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.65 -122.69 5.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.526 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.23 117.4 26.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.335 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -135.82 72.04 62.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.733 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 112.47 3.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.62 2.213 . . . . 0.0 112.323 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.0 p -148.87 174.99 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.7 m -82.91 165.8 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.667 HG11 ' HB3' ' A' ' 94' ' ' PHE . 48.1 t -51.87 -44.79 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.33 -61.84 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -56.83 -23.89 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.413 ' CZ3' HD13 ' A' ' 105' ' ' LEU . 4.9 t90 -72.98 -63.08 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.44 -24.31 67.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -56.5 -31.73 64.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -93.65 18.52 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 85' ' ' ILE . 7.0 mt -133.54 26.02 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.53 21.29 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 87' ' ' LEU . 27.0 mt -125.64 125.97 43.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.31 -40.24 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.69 -40.94 63.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.714 ' OH ' HG23 ' A' ' 119' ' ' ILE . 11.4 m-85 -54.01 -30.92 49.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.7 m -50.01 -34.5 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -64.43 -57.87 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.54 88.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.667 ' HB3' HG11 ' A' ' 78' ' ' VAL . 7.8 m-85 -56.82 -46.24 81.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.14 -62.03 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 pt -52.86 -29.11 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -69.35 -33.9 73.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.01 13.73 4.86 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.423 ' CE2' HD21 ' A' ' 117' ' ' LEU . 73.9 m-85 -86.11 98.55 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.93 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.6 p -111.51 -39.53 4.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.55 ' H ' HD12 ' A' ' 104' ' ' LEU . 50.1 m -103.5 122.35 44.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 23.3 ttm -51.99 -38.44 56.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -50.13 -36.66 30.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.55 HD12 ' H ' ' A' ' 101' ' ' SER . 14.4 mt -57.61 -38.13 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.51 HD12 HD21 ' A' ' 132' ' ' LEU . 20.5 mt -57.62 -22.72 47.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -68.96 -31.06 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -93.8 19.28 9.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.8 mm -101.65 130.67 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.14 -179.57 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.4 -60.93 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 p -50.76 -42.91 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 116' ' ' VAL . 54.3 mm-40 -64.6 -38.83 92.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.556 HD11 HD13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -65.5 -43.73 89.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.508 ' N ' HD23 ' A' ' 113' ' ' LEU . 37.7 mt -77.38 -21.98 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -87.83 -22.67 24.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 112' ' ' GLU . 89.6 t -104.79 -60.77 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.6 mm? -80.87 -41.94 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.982 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm 64.3 37.51 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.714 HG23 ' OH ' ' A' ' 90' ' ' TYR . 2.6 mp -52.15 -49.73 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 55.07 40.85 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 tp -147.3 124.25 11.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 125' ' ' ARG . 61.6 mt -64.48 -42.65 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.38 -55.96 27.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -64.67 -58.23 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -49.16 -34.89 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -45.18 60.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -55.97 -49.58 73.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.2 pt -71.23 -38.19 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.05 -49.85 75.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.23 -37.38 72.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 t -62.63 -46.22 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.51 HD21 HD12 ' A' ' 105' ' ' LEU . 62.4 mt -71.87 -55.82 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 137.6 150.53 5.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -142.37 171.58 13.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -156.32 162.09 40.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -141.18 132.25 26.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.575 ' CG1' HD22 ' A' ' 20' ' ' LEU . 96.3 t -55.94 -36.38 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.59 -58.75 12.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -61.89 -51.45 68.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.4 ' CZ2' HD13 ' A' ' 11' ' ' ILE . 63.0 t90 -53.61 -61.39 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.58 HD12 HD11 ' A' ' 11' ' ' ILE . 7.8 tp -51.89 -44.42 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -59.5 -36.23 75.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 t -69.86 -57.52 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.58 HD11 HD12 ' A' ' 8' ' ' LEU . 29.0 pt -60.0 -25.69 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.173 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.85 -104.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.0 mt -155.87 156.95 31.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 72.74 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.729 2.286 . . . . 0.0 112.3 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -124.4 -33.59 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -101.15 -3.63 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.24 -53.21 37.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -50.28 -62.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -41.96 63.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.575 HD22 ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -54.61 -68.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.5 ptp -55.35 -42.83 74.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.81 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -95.92 19.74 11.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.53 -21.84 36.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -77.87 70.43 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.98 -19.83 13.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -115.39 120.53 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.439 HG13 ' SD ' ' A' ' 31' ' ' MET . 21.2 t -50.8 -27.78 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -52.34 -41.57 63.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' O ' HG11 ' A' ' 35' ' ' VAL . . . -54.28 -23.97 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.439 ' SD ' HG13 ' A' ' 28' ' ' VAL . 41.0 mtt -74.44 -33.47 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.14 -122.58 12.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 m -109.47 -59.45 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.829 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -126.35 25.86 6.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.494 HG11 ' O ' ' A' ' 30' ' ' ALA . 22.4 t -64.16 -67.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.472 ' HG2' HD13 ' A' ' 59' ' ' ILE . 22.0 tpp -51.24 107.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -107.09 169.84 8.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.617 ' HA ' HD23 ' A' ' 41' ' ' LEU . 3.8 p30 -57.59 -44.47 85.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -55.22 -39.27 69.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.88 -59.34 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.779 HD11 ' HG2' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -52.54 -27.75 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.642 HD23 ' NH1' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -85.66 -35.54 20.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB3' HD11 ' A' ' 122' ' ' ILE . 3.7 tt0 -67.04 -31.92 72.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 41' ' ' LEU . 46.5 mt -56.75 -74.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.82 38.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.536 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 mm -80.96 145.69 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.17 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -75.34 178.03 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.4 p30 -97.33 27.68 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.4 m -66.51 -65.1 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.27 47.44 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -110.89 -12.97 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.779 ' HG2' HD11 ' A' ' 41' ' ' LEU . 14.7 mtp85 -51.61 -60.83 2.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -54.58 -48.23 72.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -51.45 -55.92 16.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.607 ' O ' HD12 ' A' ' 59' ' ' ILE . 58.3 mt -58.09 -44.22 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 56' ' ' LEU . 6.3 mt -58.0 -67.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -50.14 -36.34 29.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -55.75 28.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -59.23 -35.68 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.53 -27.36 60.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 61' ' ' LEU . 3.7 tt -89.58 -16.99 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 59' ' ' ILE . 16.1 mt -50.44 148.36 6.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -170.18 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.727 2.284 . . . . 0.0 112.371 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 51.33 57.39 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -72.35 -12.06 60.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 63.12 71.09 0.68 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.633 0.73 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -30.57 22.39 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.718 2.279 . . . . 0.0 112.381 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.484 HD12 ' N ' ' A' ' 69' ' ' GLY . 2.7 pp -66.28 -30.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.484 ' N ' HD12 ' A' ' 68' ' ' ILE . . . 177.55 169.76 39.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -98.01 -49.1 4.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.32 . . . . 0.0 110.769 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -138.7 176.96 8.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 167.9 101.0 0.15 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.395 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -114.76 178.04 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.358 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -134.88 160.8 67.07 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.586 0.708 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 105.82 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 p -153.27 -178.17 6.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -78.77 167.02 21.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.508 HG11 ' CB ' ' A' ' 94' ' ' PHE . 24.1 t -53.46 -39.03 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.96 -65.26 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.56 -45.39 63.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.548 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 12.9 t90 -56.78 -63.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.31 -23.41 48.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.46 -21.65 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -102.67 -14.64 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.461 HD12 ' CB ' ' A' ' 131' ' ' SER . 9.4 mm -88.02 8.49 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.79 13.03 9.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.411 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.4 mm? -109.95 179.13 4.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.72 -52.54 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.443 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -50.83 -37.31 42.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' A' ' 87' ' ' LEU . 26.1 m-85 -53.27 -30.79 40.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.434 HG22 ' CD1' ' A' ' 95' ' ' LEU . 38.1 m -46.73 -34.87 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.637 ' O ' HG23 ' A' ' 96' ' ' ILE . 27.7 ttpt -64.74 -53.36 48.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.16 75.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.508 ' CB ' HG11 ' A' ' 78' ' ' VAL . 20.5 m-85 -57.92 -39.94 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.434 ' CD1' HG22 ' A' ' 91' ' ' THR . 26.1 mt -69.54 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 92' ' ' LYS . 24.6 pt -51.52 -30.44 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.78 -30.13 45.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.22 49.96 1.51 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.666 ' CD1' HD22 ' A' ' 104' ' ' LEU . 20.1 m-85 -101.55 26.23 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.042 0.449 . . . . 0.0 110.987 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -63.04 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 t -51.54 128.36 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.3 tpt -60.72 -56.31 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -49.49 -29.99 7.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.666 HD22 ' CD1' ' A' ' 99' ' ' TYR . 2.3 tt -52.01 -43.3 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 99' ' ' TYR . 49.1 mt -62.79 -27.63 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -96.62 5.2 51.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -103.81 13.56 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.7 pt -125.96 -177.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.66 177.41 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.43 -63.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.809 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.5 p -48.65 -44.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.7 tp10 -54.86 -48.36 73.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.919 HD11 HD12 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -63.67 -37.56 87.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.0 mt -75.08 -19.73 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.28 -16.73 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.538 HG12 HD22 ' A' ' 117' ' ' LEU . 91.6 t -105.01 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.628 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.8 mm? -84.86 -24.08 28.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.994 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 61.69 49.9 4.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.919 HD12 HD11 ' A' ' 113' ' ' LEU . 69.4 mt -88.16 94.25 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -91.02 -35.1 14.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.11 118.54 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.436 HD11 ' HB3' ' A' ' 43' ' ' GLU . 73.4 mt -51.75 -52.21 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.09 -71.5 0.61 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -51.54 -38.13 52.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -61.37 -72.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.68 -42.48 34.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -54.18 -63.66 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.548 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 69.0 mt -59.5 -51.72 69.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.2 tp -50.78 -39.21 51.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.65 -48.13 60.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.035 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.461 ' CB ' HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -55.77 -42.48 75.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.77 -55.69 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 139.63 141.16 4.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -88.99 159.49 17.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.783 0.325 . . . . 0.0 110.822 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -161.72 175.95 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.12 136.58 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 25' ' ' PHE . 97.4 t -49.85 -40.91 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.27 -42.18 97.18 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.61 -53.92 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.721 ' CD1' HD21 ' A' ' 62' ' ' LEU . 56.2 t90 -57.39 -45.75 84.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 11' ' ' ILE . 12.6 tp -63.38 -48.55 77.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.36 -33.9 71.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.0 t -70.37 -53.63 15.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.554 HD11 HD12 ' A' ' 8' ' ' LEU . 32.7 pt -64.85 -24.76 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.14 -103.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 mt -151.86 159.07 33.64 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 80.38 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.266 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -129.02 -38.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.407 ' H ' HD21 ' A' ' 8' ' ' LEU . 2.1 m-85 -90.18 -4.98 56.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -52.3 -46.92 66.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -61.78 -50.88 70.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -60.29 4.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -50.04 -56.09 12.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.8 mtp -51.14 -54.15 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' HD11 ' A' ' 121' ' ' LEU . . . -61.98 -22.35 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.072 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -90.64 13.49 15.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.86 -18.65 52.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.46 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.4 m-85 -81.29 58.35 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -91.35 -21.79 20.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -120.58 125.42 47.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.7 t -51.69 -38.21 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -57.64 -32.58 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.78 -25.95 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.4 mtt -52.52 -36.5 55.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.12 -88.66 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -52.09 170.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -80.23 -17.77 51.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 60' ' ' GLN . 6.0 t -143.69 143.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.55 ' HB2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -75.14 145.27 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -86.67 140.96 29.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -52.06 -41.4 62.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -52.63 -51.36 60.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' HB3' HG21 ' A' ' 122' ' ' ILE . 3.3 m-20 -64.21 -49.97 69.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.824 HD21 ' HA ' ' A' ' 52' ' ' ARG . 11.9 tp -50.0 -50.74 46.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 tp -70.16 -31.82 69.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' HG2' HD11 ' A' ' 122' ' ' ILE . 9.5 tt0 -68.27 -30.77 69.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.464 HD13 HD12 ' A' ' 122' ' ' ILE . 9.8 mm -51.71 -59.97 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.92 -13.71 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.553 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.637 HD13 HD12 ' A' ' 55' ' ' ILE . 18.9 mt -50.28 119.89 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.199 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.8 mt -56.36 179.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -95.09 24.4 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.9 m -56.09 -53.76 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.26 41.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.443 ' HB2' HG21 ' A' ' 46' ' ' ILE . 2.2 m170 -112.06 -18.56 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.824 ' HA ' HD21 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -49.96 -61.86 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.25 -36.22 81.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -58.83 -62.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.637 HD12 HD13 ' A' ' 46' ' ' ILE . 65.5 mt -57.58 -49.29 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' HG ' HD22 ' A' ' 41' ' ' LEU . 6.9 mt -54.9 -51.48 65.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -56.84 -45.01 82.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.65 -62.83 1.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 36' ' ' MET . 2.5 tt -52.33 -27.8 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.606 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 tt0 -78.13 -39.52 40.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.0 -5.96 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 7' ' ' TRP . 7.6 mt -46.67 -59.69 4.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.71 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 54.2 Cg_endo -69.76 94.53 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.644 2.229 . . . . 0.0 112.413 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -76.93 -59.85 2.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.9 mtt -144.81 166.61 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 58.93 72.43 0.83 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.522 0.677 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 89.89 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.576 2.184 . . . . 0.0 112.376 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.2 tt -67.41 137.93 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.88 65.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -110.04 27.94 9.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.31 130.81 42.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.04 130.75 5.14 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.64 177.58 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -158.03 160.45 29.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 87.39 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.682 2.254 . . . . 0.0 112.316 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.1 p -136.2 173.15 12.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -79.94 170.92 15.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.465 HG11 ' CB ' ' A' ' 94' ' ' PHE . 21.8 t -57.76 -36.23 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.15 -69.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -54.34 -32.88 57.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.54 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 13.5 t90 -61.23 -52.17 65.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.83 -24.6 61.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.15 -27.3 61.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -98.32 18.14 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 85' ' ' ILE . 7.8 mt -133.23 7.56 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 69.27 17.98 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.1 mm? -113.63 143.72 44.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.91 -46.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -51.43 -36.91 45.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.545 ' CD2' HD12 ' A' ' 87' ' ' LEU . 11.7 m-85 -53.87 -28.91 38.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.3 m -49.25 -34.84 16.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.182 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -65.02 -58.81 5.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.13 78.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.465 ' CB ' HG11 ' A' ' 78' ' ' VAL . 12.9 m-85 -56.13 -43.82 78.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.07 -59.91 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.0 pt -57.69 -28.13 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -74.07 -18.94 60.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.35 40.56 6.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.441 ' CE2' HD21 ' A' ' 117' ' ' LEU . 25.1 m-85 -95.87 25.83 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.88 0.372 . . . . 0.0 110.873 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.5 p -51.23 -35.22 35.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.435 ' HB2' HD12 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -97.95 121.68 40.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.491 ' HG3' HD12 ' A' ' 105' ' ' LEU . 25.9 ttm -56.47 -24.74 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -49.81 -43.4 48.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 101' ' ' SER . 3.8 mp -59.32 -33.33 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.491 HD12 ' HG3' ' A' ' 102' ' ' MET . 34.6 mt -62.9 -20.78 65.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -112.1 16.36 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -130.14 24.97 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.7 pt -133.68 151.91 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -107.29 -178.24 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.3 -56.29 19.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.8 p -50.91 -43.52 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 116' ' ' VAL . 4.4 mp0 -63.01 -40.51 97.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.844 HD11 HD12 ' A' ' 119' ' ' ILE . 34.4 tp -64.1 -41.74 97.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.1 mt -79.82 -19.46 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -91.32 -19.05 23.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 112' ' ' GLU . 82.3 t -109.51 -57.8 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.441 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.5 mm? -85.32 -30.96 23.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.1 mttp 64.64 51.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.844 HD12 HD11 ' A' ' 113' ' ' LEU . 56.6 mt -88.59 92.77 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -85.87 -28.01 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 22' ' ' ALA . 2.6 tp -60.82 124.07 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.464 HD12 HD13 ' A' ' 44' ' ' ILE . 52.2 mt -58.02 -51.9 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -49.96 -70.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -50.03 -40.25 44.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.759 ' HD3' HD12 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -59.04 -66.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -53.64 -46.48 70.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -49.87 -63.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.54 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 64.1 mt -58.31 -46.57 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.759 HD12 ' HD3' ' A' ' 125' ' ' ARG . 7.6 mt -51.74 -43.86 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.18 -32.38 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.64 -41.93 99.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.09 -41.39 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.89 141.35 3.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.56 120.12 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.915 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.764 0.316 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -107.17 146.97 30.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -112.96 133.06 55.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.4 t -54.33 -32.51 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.39 -57.96 13.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -44.33 94.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.453 ' CE2' HD13 ' A' ' 11' ' ' ILE . 73.8 t90 -62.68 -55.79 23.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.426 ' CD2' HD13 ' A' ' 20' ' ' LEU . 18.9 tp -58.26 -30.94 66.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -79.67 -28.31 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -80.7 -27.14 37.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.453 HD13 ' CE2' ' A' ' 7' ' ' TRP . 23.2 pt -97.26 -31.08 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.97 -109.93 0.97 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -152.87 159.63 32.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.554 0.692 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.9 19.68 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.746 2.297 . . . . 0.0 112.325 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -63.12 -16.1 58.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -113.96 -8.94 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -51.59 -58.15 7.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -51.4 -40.33 59.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -58.0 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -50.76 -60.8 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -52.5 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -24.47 65.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -93.08 18.14 9.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.85 -21.58 35.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.38 72.9 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.53 -23.1 11.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -122.62 125.01 44.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -57.98 -27.34 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -58.4 -26.82 63.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.13 -25.37 45.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.521 ' CB ' HD11 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -103.71 29.33 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.85 -73.75 0.47 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.423 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.7 m -75.75 -52.32 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.806 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -71.23 -171.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.0 p -156.68 123.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ttm -51.87 103.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -88.33 -179.42 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -55.72 -40.63 72.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -51.85 -60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.44 -43.86 93.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 41' ' ' LEU . 8.9 tp -50.63 -44.43 57.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 tp -78.75 -29.55 45.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HB3' HD11 ' A' ' 122' ' ' ILE . 2.0 mt-10 -62.98 -37.14 85.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.0 mm -61.5 -73.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.04 46.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.76 106.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.89 104.08 10.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -161.77 -176.41 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -122.59 90.13 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.93 -21.49 3.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -81.24 -37.84 27.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -52.65 48.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -64.92 -31.74 73.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -61.52 -61.65 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 59' ' ' ILE . 62.6 mt -62.29 -44.58 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.03 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.4 mt -53.8 -65.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.448 ' HG2' HD12 ' A' ' 61' ' ' LEU . 33.0 tt0 -56.29 -37.45 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.34 -71.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.831 HD12 HD12 ' A' ' 62' ' ' LEU . 3.0 tp -53.21 -27.99 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -74.71 -33.8 62.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.448 HD12 ' HG2' ' A' ' 57' ' ' GLN . 86.6 mt -91.01 -11.48 38.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.831 HD12 HD12 ' A' ' 59' ' ' ILE . 6.8 mt -50.12 -60.1 5.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 53.3 Cg_endo -69.78 -21.62 33.13 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.262 . . . . 0.0 112.309 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -66.31 -28.37 68.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.5 ttm -108.73 -25.99 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -139.23 73.35 37.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.09 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 tt 39.73 38.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.18 150.16 51.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -148.89 153.96 38.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -123.3 170.12 10.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.43 147.05 5.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.551 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.33 94.03 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 111.072 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -127.77 159.36 66.67 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 117.38 5.05 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -150.07 163.36 38.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -112.37 178.97 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 99' ' ' TYR . 25.5 t -53.53 -36.39 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.74 -69.95 0.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -51.66 -34.01 36.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.587 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 13.6 t90 -63.63 -59.3 4.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.68 -34.06 73.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -52.98 -44.35 67.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -64.95 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.426 HD11 ' OG ' ' A' ' 131' ' ' SER . 6.1 mt -95.5 30.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 51.45 30.48 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.497 HD13 ' CD2' ' A' ' 90' ' ' TYR . 66.3 mt -130.33 128.88 42.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.32 -46.11 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.542 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.82 -39.04 65.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.497 ' CD2' HD13 ' A' ' 87' ' ' LEU . 3.8 m-85 -50.57 -31.25 15.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.414 HG22 HD12 ' A' ' 95' ' ' LEU . 29.1 m -50.35 -41.04 50.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.185 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -51.11 71.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.06 78.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -55.47 -46.67 76.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.414 HD12 HG22 ' A' ' 91' ' ' THR . 0.2 OUTLIER -59.28 -59.75 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.0 pt -57.7 -25.13 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -81.34 -17.7 48.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.23 37.5 5.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.533 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.622 ' CZ ' HD21 ' A' ' 117' ' ' LEU . 37.5 m-85 -96.09 34.53 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.96 0.41 . . . . 0.0 110.94 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.48 -67.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.158 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.95 159.11 9.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.457 ' HG3' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -99.21 -37.13 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -57.38 -34.95 69.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.661 HD12 ' N ' ' A' ' 105' ' ' LEU . 3.7 pp -60.02 -24.83 64.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.661 ' N ' HD12 ' A' ' 104' ' ' LEU . 87.3 mt -61.4 -18.0 56.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -101.19 20.57 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -28.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.4 pt -81.48 152.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -108.67 178.91 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -62.49 1.6 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.5 p -50.52 -45.47 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.5 mm-40 -55.28 -43.79 75.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.924 HD12 HD23 ' A' ' 117' ' ' LEU . 13.6 tp -67.94 -36.3 79.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.5 mt -77.41 -17.79 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.84 -19.45 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 112' ' ' GLU . 92.2 t -103.62 -56.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.924 HD23 HD12 ' A' ' 113' ' ' LEU . 3.4 mm? -84.26 -19.24 34.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 63.94 33.79 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.82 HD12 HD11 ' A' ' 113' ' ' LEU . 83.6 mt -82.18 93.08 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -98.18 -29.78 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.539 HD23 ' CD2' ' A' ' 124' ' ' HIS . 10.1 tp -51.97 129.5 27.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 43' ' ' GLU . 9.4 mm -59.22 -55.15 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.08 -58.45 8.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.539 ' CD2' HD23 ' A' ' 121' ' ' LEU . 31.7 m170 -59.59 -45.96 90.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.31 . . . . 0.0 110.819 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.54 -67.63 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.37 -42.75 61.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -51.66 -61.74 2.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.587 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 60.4 mt -61.77 -44.38 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 tt -51.69 -40.99 61.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.45 -33.18 42.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.111 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.426 ' OG ' HD11 ' A' ' 85' ' ' ILE . 36.2 t -65.07 -31.5 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.08 -41.27 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 140.11 134.1 3.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.98 -26.39 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.785 0.326 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -142.66 158.58 43.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.71 123.76 48.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 89.8 t -52.52 -38.83 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.36 -38.34 93.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -68.15 -48.18 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.403 ' O ' HG23 ' A' ' 11' ' ' ILE . 62.9 t90 -63.88 -46.6 84.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.422 HD12 HD11 ' A' ' 11' ' ' ILE . 11.9 tp -63.25 -41.83 99.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -66.56 -40.13 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -64.81 -47.17 79.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.422 HD11 HD12 ' A' ' 8' ' ' LEU . 25.5 pt -72.86 -26.81 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.21 -104.24 0.22 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.5 mt -155.12 156.44 31.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 79.19 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.383 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -125.53 -37.95 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -99.4 19.12 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.2 -59.18 4.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -54.21 -46.3 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -57.15 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.51 -59.48 4.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -53.71 26.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -23.36 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.043 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.506 ' HA ' HD11 ' A' ' 121' ' ' LEU . 2.7 m-80 -91.67 14.53 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 -21.07 43.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -78.29 67.37 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.93 -23.35 16.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -128.18 122.18 31.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.6 t -52.09 -29.12 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -57.01 -25.32 58.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.24 -29.99 59.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ptp -108.06 25.65 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.54 -64.12 3.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.1 m -75.38 -35.3 61.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 0.0 110.871 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -118.45 94.43 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.5 m -56.43 147.46 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.667 ' O ' HG21 ' A' ' 59' ' ' ILE . 5.9 ttm -57.47 156.23 8.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -129.85 165.83 21.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -54.47 -40.01 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -51.92 -59.17 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.633 ' HB3' HG21 ' A' ' 122' ' ' ILE . 6.3 m-20 -61.52 -43.07 99.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.813 HD21 ' HA ' ' A' ' 52' ' ' ARG . 9.0 tp -50.75 -44.01 58.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.7 tp -85.86 -21.3 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.78 -33.25 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.2 mt -66.24 -74.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.056 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.537 ' H ' HD12 ' A' ' 46' ' ' ILE . . . 170.16 57.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.537 HD12 ' H ' ' A' ' 45' ' ' GLY . 5.3 mp -134.69 107.31 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 mt -57.07 167.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -86.89 171.65 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t 57.62 37.85 27.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.51 -90.4 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -106.5 -6.96 17.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.813 ' HA ' HD21 ' A' ' 41' ' ' LEU . 27.9 mtp180 -51.7 -58.73 5.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -55.91 -40.97 73.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -56.6 -68.75 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.0 mt -51.18 -46.7 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.1 mt -54.04 -56.98 12.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.59 -38.98 67.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.36 -49.02 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.667 HG21 ' O ' ' A' ' 36' ' ' MET . 29.3 mm -58.08 -39.14 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -79.14 -27.16 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.19 -20.49 41.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.9 mt -49.5 108.14 0.92 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.68 0.753 . . . . 0.0 110.936 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 79.49 0.94 Allowed 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -128.39 137.5 51.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.7 mtp -123.43 172.84 8.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -117.44 68.93 5.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.591 0.71 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -35.21 12.94 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.8 pt -144.69 140.13 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -166.42 143.31 8.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.539 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -69.66 123.64 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -110.87 -32.95 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -78.17 175.14 54.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.47 124.65 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.345 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -98.26 160.7 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.605 0.717 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 78.67 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.317 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.3 p -118.49 160.14 22.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -99.52 170.25 8.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.601 HG11 ' HB3' ' A' ' 94' ' ' PHE . 100.0 t -51.47 -36.16 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.02 -58.19 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -51.68 -33.89 36.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.539 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 2.3 t90 -72.82 -58.89 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.483 HD22 ' HB2' ' A' ' 87' ' ' LEU . 15.4 mt -57.97 -20.17 36.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.53 -31.28 45.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 t -90.07 -17.2 28.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.6 mm -92.34 18.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 40.84 38.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.674 HD22 ' CD2' ' A' ' 90' ' ' TYR . 17.3 mt -129.05 45.15 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.71 62.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -52.04 -45.31 64.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.674 ' CD2' HD22 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -53.86 -30.78 47.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -48.71 -34.46 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.465 ' O ' HG23 ' A' ' 96' ' ' ILE . 3.9 tppp? -64.42 -54.25 35.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.46 83.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.601 ' HB3' HG11 ' A' ' 78' ' ' VAL . 12.5 m-85 -56.11 -46.04 79.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.13 -62.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 92' ' ' LYS . 22.4 pt -53.33 -30.5 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -69.24 -32.62 71.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.79 11.32 7.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.683 ' CD1' HD23 ' A' ' 105' ' ' LEU . 95.0 m-85 -83.95 98.03 9.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.001 0.429 . . . . 0.0 110.899 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.89 -58.25 2.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.8 m -105.0 147.91 27.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -33.31 32.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -41.72 60.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 104' ' ' LEU . 12.2 mt -60.18 -31.53 70.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.683 HD23 ' CD1' ' A' ' 99' ' ' TYR . 22.4 mt -65.09 -19.17 65.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.951 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -95.43 -1.84 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -98.87 23.63 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.3 pt -136.75 153.12 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.422 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . . . -98.51 179.22 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -51.03 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.8 p -51.68 -43.25 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.422 ' HG3' ' HB3' ' A' ' 109' ' ' ALA . 46.5 mt-10 -55.2 -39.61 69.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 117' ' ' LEU . 6.0 tp -75.46 -53.3 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.955 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.41 -17.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -97.27 -56.21 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.57 -55.94 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.663 ' HB2' HD12 ' A' ' 113' ' ' LEU . 4.1 mm? -77.26 -16.93 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.8 mttm 53.52 44.84 29.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.656 HG23 ' OH ' ' A' ' 90' ' ' TYR . 33.4 mt -81.23 -70.32 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.7 t30 57.28 34.81 25.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.573 HD23 ' CD2' ' A' ' 124' ' ' HIS . 11.5 tp -128.99 134.42 48.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.633 HG21 ' HB3' ' A' ' 40' ' ' ASP . 44.9 mt -68.03 -50.88 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -54.12 -47.74 66.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.573 ' CD2' HD23 ' A' ' 121' ' ' LEU . 42.6 m170 -68.16 -59.93 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.64 ' HD3' HD12 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -51.96 -27.84 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.6 tptt -75.08 -61.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -54.74 -34.72 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.539 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 75.8 mt -73.77 -52.98 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.64 HD12 ' HD3' ' A' ' 125' ' ' ARG . 28.3 mt -60.12 -34.78 73.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.26 -51.04 19.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -56.49 -42.52 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.403 HD11 HD13 ' A' ' 105' ' ' LEU . 39.4 mt -75.15 -42.76 55.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 113.72 164.93 15.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.55 161.89 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.788 0.327 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.809 0.338 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.556 ' HB3' HG11 ' A' ' 28' ' ' VAL . 4.9 tp60 -73.15 171.75 12.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.33 147.38 47.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 t -59.13 -47.02 91.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.04 -52.58 50.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -62.83 -54.66 35.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -55.43 -61.18 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.481 HD12 HD11 ' A' ' 11' ' ' ILE . 9.4 tp -51.23 -41.32 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.85 -33.97 77.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -73.37 -52.47 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.775 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.593 HG21 ' HB1' ' A' ' 58' ' ' ALA . 47.9 pt -68.03 -24.79 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.56 -113.4 0.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.92 160.4 31.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 89.18 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -142.44 -42.38 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.563 ' CE2' HG23 ' A' ' 46' ' ' ILE . 61.7 m-85 -92.94 11.96 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -62.61 -45.87 90.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -59.02 -50.51 73.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -56.0 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.11 -63.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 ttt -51.86 -49.64 62.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.28 -25.82 64.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.647 ' CG ' HG23 ' A' ' 44' ' ' ILE . 4.8 m-80 -93.17 20.06 7.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.99 -14.99 55.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -81.15 54.11 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -81.98 -26.49 33.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.49 112.18 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 2' ' ' GLN . 7.2 p -51.42 -32.72 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -56.01 -23.21 31.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.73 -29.99 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.1 mtt -64.34 -38.88 92.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.32 -124.12 17.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.5 p -73.5 -34.49 65.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.354 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -65.15 177.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG13 HG13 ' A' ' 59' ' ' ILE . 20.9 t -145.35 128.74 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.72 123.51 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -111.88 -176.41 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -61.92 -35.89 79.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -52.42 -62.12 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.97 -41.32 95.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.746 HD21 ' HG3' ' A' ' 52' ' ' ARG . 13.4 tp -49.74 -43.81 48.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.36 -24.56 24.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -65.08 -32.76 74.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.647 HG23 ' CG ' ' A' ' 23' ' ' ASN . 84.7 mt -67.58 -74.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.74 38.26 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.731 HD12 HD12 ' A' ' 41' ' ' LEU . 69.7 mt -100.9 145.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.9 177.08 5.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -95.78 28.21 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.8 t -59.4 -35.57 74.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.779 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.94 -25.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.438 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -66.78 -23.55 66.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 41' ' ' LEU . 8.3 ttp85 -50.84 -59.19 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -61.33 -30.93 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -60.09 -64.48 0.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.02 -38.06 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.41 -66.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.39 -39.92 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.593 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -63.05 -65.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.655 HD12 ' CD1' ' A' ' 62' ' ' LEU . 3.9 tp -57.34 -20.97 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -87.28 -26.18 23.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -97.91 -8.38 28.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.655 ' CD1' HD12 ' A' ' 59' ' ' ILE . 16.6 mt -47.26 154.12 0.84 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.67 -170.82 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.658 2.239 . . . . 0.0 112.414 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -140.45 108.54 5.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.1 mmm -51.37 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -160.79 160.69 25.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -18.21 37.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.363 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.436 ' H ' HD12 ' A' ' 68' ' ' ILE . 5.3 mp -76.74 128.66 37.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.45 43.98 1.08 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -113.01 150.43 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -77.95 144.81 36.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.81 -41.29 63.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.21 171.52 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 0.0 111.09 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -100.29 138.52 20.24 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.613 0.721 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.26 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 m -66.93 -58.73 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 t -135.89 176.19 8.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.669 HG11 ' CB ' ' A' ' 94' ' ' PHE . 32.7 t -53.86 -35.9 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -64.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -51.77 -31.14 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.591 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 7.6 t90 -72.35 -61.03 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' A' ' 87' ' ' LEU . 13.5 mt -57.23 -22.2 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.74 -24.74 51.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 m -92.47 -15.83 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.452 HG23 ' HG2' ' A' ' 127' ' ' ARG . 5.3 mm -92.97 18.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 58.1 22.31 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.617 HD22 ' CD2' ' A' ' 90' ' ' TYR . 17.9 mt -123.9 143.1 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.1 -48.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -56.02 -32.45 64.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.617 ' CD2' HD22 ' A' ' 87' ' ' LEU . 1.3 m-85 -54.05 -30.09 46.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.7 m -49.98 -34.37 20.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -62.72 -53.06 60.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.99 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.669 ' CB ' HG11 ' A' ' 78' ' ' VAL . 13.6 m-85 -56.96 -44.55 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.26 -61.4 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.7 pt -54.84 -29.99 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -71.02 -27.21 63.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.69 33.6 4.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CD1' HD22 ' A' ' 104' ' ' LEU . 46.1 m-85 -95.52 35.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.988 0.423 . . . . 0.0 110.934 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 36.1 p -63.68 -29.3 70.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -88.5 141.21 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 tpt -69.27 -56.89 6.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.01 -30.17 14.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.677 HD22 ' CD1' ' A' ' 99' ' ' TYR . 2.2 tt -53.63 -40.78 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.592 HD23 ' CD1' ' A' ' 99' ' ' TYR . 71.6 mt -62.78 -25.23 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -97.05 14.34 25.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -119.88 27.34 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 113' ' ' LEU . 13.9 pt -135.14 150.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -97.94 173.05 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -50.93 -40.63 57.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 112' ' ' GLU . 7.3 p -70.63 -43.68 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 111' ' ' VAL . 77.9 mm-40 -57.0 -39.28 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.701 HD12 ' HB2' ' A' ' 117' ' ' LEU . 4.1 tp -75.0 -54.37 7.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.52 HG23 ' H ' ' A' ' 120' ' ' ASN . 40.3 mt -59.37 -20.08 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -94.11 -56.1 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.81 -58.65 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.701 ' HB2' HD12 ' A' ' 113' ' ' LEU . 4.0 mm? -73.11 -16.29 61.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt 52.19 52.34 14.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.675 HD12 HD11 ' A' ' 113' ' ' LEU . 68.7 mt -86.31 -50.65 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.52 ' H ' HG23 ' A' ' 114' ' ' ILE . 2.9 p-10 41.97 39.42 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.453 ' H ' HG22 ' A' ' 119' ' ' ILE . 7.7 tp -132.35 118.12 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 65.3 mt -50.71 -50.47 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.36 -73.09 0.4 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.418 ' CE1' HD23 ' A' ' 121' ' ' LEU . 24.7 m170 -51.46 -45.69 62.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.835 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.522 ' HG2' HD12 ' A' ' 129' ' ' LEU . 1.2 ttt180 -51.41 -60.85 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -52.34 -49.34 64.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.452 ' HG2' HG23 ' A' ' 85' ' ' ILE . 3.9 ttt180 -53.18 -65.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.591 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 54.1 mt -52.58 -54.15 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.522 HD12 ' HG2' ' A' ' 125' ' ' ARG . 16.6 mt -53.17 -30.69 38.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.12 -47.95 39.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 82.1 p -58.75 -48.26 81.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.81 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.57 -42.76 67.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 105.22 132.73 7.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -74.68 168.13 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.737 0.303 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.2 ptt85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.854 -179.884 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 2' ' ' GLN . 30.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.753 0.311 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.504 ' HG2' HG23 ' A' ' 1' ' ' VAL . 17.6 pt20 -154.75 152.45 29.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -134.21 143.37 47.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.55 -36.36 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.74 -56.79 23.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -64.59 -49.87 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.622 ' CH2' HD12 ' A' ' 59' ' ' ILE . 57.0 t90 -54.22 -53.16 57.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.723 HD21 ' HB2' ' A' ' 16' ' ' TYR . 12.5 tp -65.77 -31.31 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -72.42 -26.71 61.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -82.63 -50.46 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.65 HG21 ' HB1' ' A' ' 58' ' ' ALA . 24.6 pt -73.04 -30.05 30.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.95 -119.43 1.01 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mt -139.39 159.04 67.54 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.679 0.752 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.13 25.35 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -53.86 -27.93 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.723 ' HB2' HD21 ' A' ' 8' ' ' LEU . 19.9 m-85 -97.86 -16.07 19.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -51.73 -49.08 63.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -53.27 -47.36 69.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -62.09 -53.74 51.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -50.82 -63.44 1.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.1 ttm -50.71 -51.62 48.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.45 -25.65 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.058 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.557 ' HA ' HD11 ' A' ' 121' ' ' LEU . 1.4 m-80 -93.91 20.36 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 -20.41 37.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.44 ' HB3' HD23 ' A' ' 20' ' ' LEU . 3.5 m-85 -78.4 69.4 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.8 -22.31 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -114.39 130.2 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.2 t -57.35 -31.98 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -54.79 -25.88 30.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.82 -27.12 27.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.521 ' CB ' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -119.77 29.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.04 -51.85 5.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 p -88.42 -46.67 8.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.832 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -108.81 103.51 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.6 m -63.47 131.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.448 ' HB3' HG21 ' A' ' 59' ' ' ILE . 24.2 ttm -51.88 121.65 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -88.56 174.99 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.59 -36.17 73.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -54.29 -59.22 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' HB3' HG21 ' A' ' 122' ' ' ILE . 2.4 m-20 -63.27 -51.13 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.763 HD21 ' HA ' ' A' ' 52' ' ' ARG . 18.8 tp -49.65 -40.21 38.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.477 HD11 HD22 ' A' ' 47' ' ' LEU . 12.2 tp -82.81 -25.35 32.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -73.28 -32.72 64.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.658 HD13 HD12 ' A' ' 122' ' ' ILE . 18.4 mm -52.17 -71.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.23 -32.01 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.451 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.8 mp -53.53 114.42 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.536 HD13 ' N ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER -140.43 127.77 21.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.536 ' N ' HD13 ' A' ' 47' ' ' LEU . 10.6 m120 53.93 37.53 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 m -111.76 8.02 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 52.01 30.59 30.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -113.72 -11.37 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.748 0.309 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.763 ' HA ' HD21 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -51.72 -62.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.43 -41.35 63.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -55.48 -67.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' ' 59' ' ' ILE . 61.2 mt -57.87 -28.14 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.5 -72.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -57.24 -29.4 63.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.65 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -69.94 -45.12 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.622 HD12 ' CH2' ' A' ' 7' ' ' TRP . 3.0 tt -85.78 -8.13 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -96.48 -29.93 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.33 -38.07 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 58' ' ' ALA . 3.9 mm? 61.34 157.74 0.11 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.561 0.695 . . . . 0.0 110.927 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -25.9 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.426 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -84.96 121.43 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 31.1 ttm -83.77 -38.17 21.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -118.31 70.62 8.6 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.613 0.721 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.89 -179.46 2.99 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.606 2.204 . . . . 0.0 112.32 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.8 tt -95.76 -25.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.207 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.93 -137.46 17.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -114.18 155.05 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -71.78 -53.0 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.4 165.72 10.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.27 168.62 10.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -168.05 139.14 2.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.643 0.735 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.45 4.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 t -158.76 172.26 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -64.36 157.41 26.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.598 HG11 ' CB ' ' A' ' 94' ' ' PHE . 38.7 t -51.51 -43.5 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.42 -62.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -51.33 -33.5 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.564 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 6.6 t90 -68.79 -62.14 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.2 mt -57.76 -22.53 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.78 -17.76 57.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.8 p -106.3 -13.59 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 85' ' ' ILE . 8.4 mm -88.5 10.24 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 66.24 18.88 11.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.41 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.3 mm? -110.33 179.25 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.973 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.49 -54.42 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -49.76 -43.57 48.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.511 ' OH ' HG23 ' A' ' 119' ' ' ILE . 22.2 m-85 -49.97 -31.36 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.4 m -46.86 -42.19 16.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 96' ' ' ILE . 19.5 pttt -64.11 -43.25 95.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 92' ' ' LYS . . . -66.92 -51.4 55.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.598 ' CB ' HG11 ' A' ' 78' ' ' VAL . 22.1 m-85 -56.44 -43.29 79.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.18 -60.04 3.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 92' ' ' LYS . 22.3 pt -57.91 -23.69 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -76.68 -27.13 55.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.06 2.42 22.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' O ' HG21 ' A' ' 78' ' ' VAL . 93.2 m-85 -74.07 97.71 2.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.88 -25.82 9.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -123.99 129.83 51.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.6 ttm -51.85 -33.61 37.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.47 -39.34 33.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.1 mt -58.06 -37.47 74.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.94 -21.67 58.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.0 -29.44 68.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -97.88 24.37 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.27 129.88 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.03 178.35 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -57.15 -68.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.1 p -49.23 -46.38 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 116' ' ' VAL . 5.7 mm-40 -55.96 -40.99 74.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.62 HD12 HD23 ' A' ' 117' ' ' LEU . 21.1 tp -68.97 -36.84 78.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 54.2 mt -78.34 -17.31 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -98.75 -21.44 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 112' ' ' GLU . 90.1 t -103.69 -55.72 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.62 HD23 HD12 ' A' ' 113' ' ' LEU . 3.7 mm? -87.14 -26.86 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? 64.48 44.64 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.511 HG23 ' OH ' ' A' ' 90' ' ' TYR . 7.5 mt -86.65 101.06 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -97.94 -34.78 10.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.685 HD23 ' CD2' ' A' ' 124' ' ' HIS . 12.5 tp -52.48 132.9 35.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.658 HD12 HD13 ' A' ' 44' ' ' ILE . 58.8 mt -69.78 -40.54 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.11 -46.42 93.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.685 ' CD2' HD23 ' A' ' 121' ' ' LEU . 38.9 m170 -69.66 -50.79 40.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -30.96 69.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -73.54 -56.21 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -53.46 -44.02 68.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.564 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 87.4 mt -68.5 -54.95 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.493 ' C ' HD13 ' A' ' 129' ' ' LEU . 3.4 tm? -53.29 -41.21 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.67 -52.27 46.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.68 -44.04 62.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.3 mt -69.86 -53.85 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 112.24 114.35 3.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -59.63 168.59 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -116.18 164.85 13.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.52 130.38 40.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.5 t -51.05 -39.69 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.61 -46.31 94.01 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.57 -54.98 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -56.12 -48.51 76.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.588 HD12 HD11 ' A' ' 11' ' ' ILE . 15.7 tp -62.08 -36.25 81.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.11 -30.85 67.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -74.75 -43.25 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.588 HD11 HD12 ' A' ' 8' ' ' LEU . 24.9 pt -77.88 -31.01 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.717 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -152.75 -125.45 1.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.717 HD22 ' C ' ' A' ' 12' ' ' GLY . 3.7 mm? -133.31 156.11 80.15 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 68.96 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -120.77 -15.62 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -122.08 0.09 9.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -51.8 -54.74 25.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -55.74 -49.97 71.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -52.69 61.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -57.37 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.2 mtt -54.76 -54.42 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.77 -23.68 60.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.552 ' HA ' HD11 ' A' ' 121' ' ' LEU . 1.3 m-80 -90.2 13.55 14.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.82 -22.38 39.64 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.455 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -80.72 65.26 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -97.87 -20.71 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -118.52 120.31 37.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.469 HG13 ' SD ' ' A' ' 31' ' ' MET . 24.6 t -51.08 -33.26 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -51.54 -30.23 19.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.75 -25.68 19.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.469 ' SD ' HG13 ' A' ' 28' ' ' VAL . 16.8 mtt -78.86 -30.92 45.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.5 -50.16 54.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.05 -38.45 57.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -161.6 119.8 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t -52.6 126.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.2 mtp -52.6 121.49 7.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -97.03 176.28 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.469 ' HB2' HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -63.71 -33.25 75.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -58.34 -62.19 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -62.36 -42.07 99.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.605 ' HA ' HD12 ' A' ' 44' ' ' ILE . 21.2 tp -57.69 -45.05 86.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 tp -79.57 -21.35 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -75.91 -35.84 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.6 mt -58.95 -71.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.7 35.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.9 mm -109.17 44.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.7 -30.87 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.34 101.88 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -53.43 130.18 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.11 -25.76 1.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -115.67 -22.44 9.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttp-105 -50.59 -58.04 6.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.62 -45.12 85.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -57.79 -64.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.491 ' HB ' HD21 ' A' ' 41' ' ' LEU . 79.9 mt -51.64 -35.05 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 38' ' ' ASP . 8.6 mt -66.98 -52.29 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -60.62 -39.63 88.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.27 -58.9 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -59.15 -27.2 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -77.92 -37.4 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -88.86 -8.51 54.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 6.9 mt -47.34 -60.21 4.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 110.975 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 54.1 Cg_endo -69.69 77.78 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.401 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -97.92 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 33.3 mtt -89.29 -49.15 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -56.91 159.77 6.91 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 178.32 4.66 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.25 . . . . 0.0 112.378 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 39.3 pt -103.76 176.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -69.4 118.86 8.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -141.34 162.17 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -84.88 178.15 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.02 -22.64 0.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.08 163.71 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -124.24 70.08 52.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 139.22 39.58 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.6 p -111.34 -28.97 8.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.4 m -153.27 167.39 29.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.59 HG11 ' CB ' ' A' ' 94' ' ' PHE . 40.9 t -51.82 -37.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.14 -58.08 7.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -68.78 -12.38 61.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -84.29 -42.27 15.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.5 mt -88.2 -44.55 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -59.54 -21.06 59.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 t -94.64 8.62 41.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.486 HG21 ' HG3' ' A' ' 127' ' ' ARG . 86.5 mt -113.81 -71.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -150.36 -65.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.496 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -117.4 125.64 51.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.58 -4.41 58.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -54.98 -40.49 70.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.468 ' CE2' HD11 ' A' ' 87' ' ' LEU . 3.9 m-85 -53.38 -27.83 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.5 m -46.64 -34.42 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -62.03 -54.59 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.5 89.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CB ' HG11 ' A' ' 78' ' ' VAL . 17.1 m-85 -55.92 -48.01 76.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.81 -63.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.3 pt -52.11 -29.08 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -71.28 -34.41 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.99 0.16 7.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.669 ' CD1' HD23 ' A' ' 105' ' ' LEU . 93.3 m-85 -74.05 97.83 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.2 p -114.05 -26.82 7.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.189 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 m -107.27 138.62 43.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.587 ' SD ' HD12 ' A' ' 105' ' ' LEU . 10.0 tpp -59.58 -54.27 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -50.72 -33.15 21.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 104' ' ' LEU . 1.5 tt -55.99 -39.43 71.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.669 HD23 ' CD1' ' A' ' 99' ' ' TYR . 12.0 mt -62.09 -24.06 66.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -83.92 -13.91 52.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -80.96 -29.02 35.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.458 HG21 ' OH ' ' A' ' 99' ' ' TYR . 12.3 pt -81.74 156.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -106.77 179.27 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.426 ' HG2' HD11 ' A' ' 114' ' ' ILE . 4.3 tt0 -53.29 -65.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.437 ' HA ' HD12 ' A' ' 114' ' ' ILE . 4.1 p -50.45 -42.83 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 116' ' ' VAL . 14.8 mm-40 -53.33 -53.58 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.702 HD13 HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -67.81 -26.61 66.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 111' ' ' VAL . 42.1 mt -76.47 -24.1 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -101.2 -18.34 16.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 112' ' ' GLU . 72.4 t -96.8 -54.16 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.438 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.6 mm? -86.86 -14.25 42.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp 59.93 43.81 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.702 HD12 HD13 ' A' ' 113' ' ' LEU . 18.3 mt -93.17 109.42 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.37 -28.91 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.682 HD23 ' CD2' ' A' ' 124' ' ' HIS . 14.6 tp -51.19 139.48 18.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 14.3 mm -61.6 -66.99 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -44.48 -61.42 3.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.682 ' CD2' HD23 ' A' ' 121' ' ' LEU . 26.7 m170 -50.52 -54.96 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -51.15 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -52.32 -36.39 53.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.486 ' HG3' HG21 ' A' ' 85' ' ' ILE . 1.9 tpt180 -58.33 -63.18 1.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.497 HD12 HD13 ' A' ' 119' ' ' ILE . 22.6 mt -63.74 -50.31 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 tp -49.93 -48.18 51.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.35 63.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.5 t -64.43 -40.98 96.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.1 mt -87.12 -55.24 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.59 170.42 16.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -115.21 147.18 40.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.848 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.778 0.323 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -106.18 153.03 22.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -127.53 132.08 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -51.04 -45.58 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.59 -42.1 83.52 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.417 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -67.89 -52.74 32.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.659 ' NE1' HD11 ' A' ' 62' ' ' LEU . 41.0 t90 -57.69 -53.4 58.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.7 -48.91 78.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -56.66 -38.34 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.7 t -65.99 -56.68 10.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.44 HG21 ' HB1' ' A' ' 58' ' ' ALA . 38.1 pt -61.67 -24.22 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.623 ' C ' HD23 ' A' ' 13' ' ' LEU . . . -154.34 -101.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.552 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.623 HD23 ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -159.01 160.07 29.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 83.53 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -137.52 -47.52 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.749 ' CE1' HG23 ' A' ' 46' ' ' ILE . 18.0 m-85 -84.7 -9.21 58.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -51.93 -41.19 61.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -59.44 -59.35 5.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -53.25 41.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.81 -63.24 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt -50.08 -55.54 14.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.26 -25.23 47.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.41 21.02 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.88 -24.23 19.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.14 73.58 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -109.58 -20.69 12.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -118.46 130.83 56.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.39 -33.48 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.49 -26.16 41.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.48 50.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.053 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.36 32.89 5.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.21 -62.15 1.93 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 t -71.39 -44.06 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -112.29 96.7 6.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 m -54.51 141.34 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.48 ' HB2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -51.99 167.49 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -152.14 171.3 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -59.08 -36.63 75.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -50.15 -59.77 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.21 -37.31 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.808 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.581 HD13 HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -50.85 -44.07 59.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.1 tp -86.12 -32.87 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' HG2' HD11 ' A' ' 122' ' ' ILE . 24.1 tt0 -63.44 -25.88 68.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.801 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.1 mt -81.06 -74.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.48 88.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.749 HG23 ' CE1' ' A' ' 16' ' ' TYR . 68.3 mt -145.57 97.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.16 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.3 tp -119.03 -11.04 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -58.42 99.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t 56.98 24.0 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 51.47 78.13 0.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.427 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.548 ' HB3' HG21 ' A' ' 46' ' ' ILE . 2.6 t60 -82.89 0.57 43.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.547 ' HG2' HD12 ' A' ' 41' ' ' LEU . 2.2 mtm105 -54.79 -47.95 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -61.44 -49.39 77.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -53.09 -63.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.461 ' HB ' HD21 ' A' ' 41' ' ' LEU . 61.6 mt -54.14 -39.83 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mt -56.71 -67.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.26 -32.56 56.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.44 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -66.15 -68.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -53.64 -28.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -79.11 -33.23 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.6 mt -83.11 -19.49 36.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.659 HD11 ' NE1' ' A' ' 7' ' ' TRP . 24.9 mt -52.51 158.2 2.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.964 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -170.67 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.63 2.22 . . . . 0.0 112.363 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -97.89 142.15 29.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -108.32 96.97 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.95 142.73 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -170.09 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.232 . . . . 0.0 112.311 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 tt -92.41 127.1 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.52 -49.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t60 63.57 50.94 2.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -158.66 145.82 17.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.71 -84.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.427 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.35 -178.47 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 111.095 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -112.74 76.73 2.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.558 0.694 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -49.33 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.3 p 50.03 31.04 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -160.17 134.29 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.796 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.718 HG11 ' CB ' ' A' ' 94' ' ' PHE . 61.1 t -51.6 -49.94 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.947 ' HB2' HG21 ' A' ' 91' ' ' THR . . . -62.77 -39.58 94.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.96 -24.92 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.453 ' CH2' HD11 ' A' ' 132' ' ' LEU . 1.6 t90 -87.07 -41.76 13.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.679 HD12 HG12 ' A' ' 78' ' ' VAL . 16.2 mt -75.71 -29.33 58.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.22 -48.61 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.3 t -62.95 -16.97 61.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.436 HG22 ' HD3' ' A' ' 127' ' ' ARG . 5.2 mt -103.2 29.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 51.15 30.2 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 90' ' ' TYR . 33.3 mt -127.55 128.01 44.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.26 -45.7 0.13 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -50.16 -43.85 52.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.79 0.328 . . . . 0.0 110.821 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.418 ' CD2' HD13 ' A' ' 87' ' ' LEU . 7.0 m-85 -49.24 -35.96 18.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.947 HG21 ' HB2' ' A' ' 79' ' ' ALA . 30.1 m -46.47 -41.8 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -58.16 -48.96 78.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 96' ' ' ILE . . . -66.08 -47.27 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.718 ' CB ' HG11 ' A' ' 78' ' ' VAL . 14.9 m-85 -56.5 -42.17 77.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.47 HD13 HG22 ' A' ' 91' ' ' THR . 0.1 OUTLIER -68.4 -62.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 92' ' ' LYS . 25.4 pt -49.55 -30.08 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -78.18 -33.86 49.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.11 50.0 0.74 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.593 ' OH ' HG11 ' A' ' 116' ' ' VAL . 45.0 m-85 -112.59 22.59 14.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.976 0.417 . . . . 0.0 110.927 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 p -49.39 -54.79 15.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.218 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.85 162.36 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 85.2 mmm -103.43 -44.11 5.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -43.95 -52.38 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 105' ' ' LEU . 3.1 pp -61.41 -34.36 75.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.672 HD11 HG22 ' A' ' 78' ' ' VAL . 12.3 mt -67.18 -11.45 57.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -109.96 3.29 20.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.08 12.83 12.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.477 HG21 HD23 ' A' ' 113' ' ' LEU . 4.7 tt -90.81 165.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -117.79 161.32 19.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -50.55 -60.6 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.28 -40.31 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.9 mt-10 -60.9 -42.03 97.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.806 HD12 HD12 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -66.59 -43.82 83.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 44.0 mt -76.06 -16.93 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -95.64 -21.13 18.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.593 HG11 ' OH ' ' A' ' 99' ' ' TYR . 71.0 t -102.15 -59.24 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.47 ' HB2' HD13 ' A' ' 113' ' ' LEU . 4.3 mm? -77.65 -17.14 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 63.89 37.98 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.806 HD12 HD12 ' A' ' 113' ' ' LEU . 55.5 mt -81.87 101.08 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -84.08 -29.42 26.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.481 HD23 ' CD2' ' A' ' 124' ' ' HIS . 5.8 tp -63.34 116.8 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.432 HD11 ' HG2' ' A' ' 43' ' ' GLU . 83.1 mt -62.36 -36.0 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.26 -46.08 94.67 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.481 ' CD2' HD23 ' A' ' 121' ' ' LEU . 50.3 m170 -69.75 -56.33 7.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -36.5 61.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -71.31 -47.65 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.436 ' HD3' HG22 ' A' ' 85' ' ' ILE . 4.8 mtp180 -53.83 -50.25 66.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.6 pt -69.62 -38.87 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.69 -49.95 75.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.98 -32.47 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.9 t -65.65 -48.37 72.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.453 HD11 ' CH2' ' A' ' 81' ' ' TRP . 23.3 mt -73.01 -46.71 50.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 134.48 172.09 12.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.492 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.22 -66.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.865 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 37.0 t . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.531 ' HB3' HG21 ' A' ' 28' ' ' VAL . 2.5 mp0 -61.62 159.76 12.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.605 HG22 ' H ' ' A' ' 5' ' ' GLY . 44.1 m -141.62 127.72 19.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 74.7 t -51.1 -34.65 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.605 ' H ' HG22 ' A' ' 3' ' ' THR . . . -60.29 -57.37 19.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -60.99 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -57.82 -60.67 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 16' ' ' TYR . 3.6 tp -56.04 -32.16 63.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.76 -31.91 65.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t -75.44 -39.63 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 pt -85.53 -20.61 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.694 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -157.24 -126.53 0.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.694 HD22 ' C ' ' A' ' 12' ' ' GLY . 3.8 mm? -130.94 157.18 78.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -5.69 16.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.748 2.299 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -27.47 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.647 ' CE1' HG23 ' A' ' 46' ' ' ILE . 61.1 m-85 -107.2 -13.78 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HA ' HD22 ' A' ' 8' ' ' LEU . 2.2 tm-20 -50.93 -59.11 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -51.08 -41.91 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -59.89 -57.18 13.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mp -51.5 -57.5 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.6 mtp -50.49 -60.32 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -19.24 49.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -92.7 17.53 10.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.16 -24.31 22.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.05 63.72 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -95.93 -27.14 15.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -105.32 122.44 45.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 2' ' ' GLN . 22.5 t -52.71 -24.01 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -53.79 -39.15 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.52 -19.94 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.419 ' HE2' ' HA ' ' A' ' 28' ' ' VAL . 50.6 mtm -110.27 -6.13 15.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.15 -28.55 18.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -104.47 -175.18 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 110.806 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -91.22 17.06 8.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG22 ' HD3' ' A' ' 126' ' ' LYS . 7.2 p -60.39 -37.03 72.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.18 159.6 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -168.61 176.17 5.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.666 ' HA ' HD23 ' A' ' 41' ' ' LEU . 1.5 t70 -58.82 -38.14 77.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.39 -46.69 73.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.58 -57.09 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.79 HD11 ' HG3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -51.31 -28.22 11.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.5 tp -85.88 -38.88 17.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.474 ' HB3' HD11 ' A' ' 122' ' ' ILE . 4.8 tt0 -65.92 -25.08 66.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 41' ' ' LEU . 80.6 mt -67.07 -76.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.38 36.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.647 HG23 ' CE1' ' A' ' 16' ' ' TYR . 1.8 mp -122.58 37.32 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 tp -59.21 -23.17 62.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -54.28 103.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.2 p -53.9 139.32 34.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.62 -25.34 5.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -115.97 -19.15 10.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.79 ' HG3' HD11 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -50.84 -60.05 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -59.02 -36.67 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -57.17 -60.63 3.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -59.18 -53.9 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mt -52.31 -64.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -49.99 -39.1 39.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.44 -53.6 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.482 ' HA ' HD12 ' A' ' 62' ' ' LEU . 61.6 mt -58.58 -39.57 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -23.73 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.3 tp -87.93 -18.89 28.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 59' ' ' ILE . 20.7 mt -49.12 157.63 0.8 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -179.25 2.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.21 . . . . 0.0 112.382 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -159.31 93.47 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.4 mtp -129.24 165.44 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -59.4 156.33 31.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 175.69 7.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.322 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -122.76 151.11 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.95 -142.32 15.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.69 141.35 38.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -145.04 155.36 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -174.45 75.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.37 138.85 40.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -118.07 138.5 25.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 110.823 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 83.51 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.748 2.299 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 84.2 m -92.97 -43.99 8.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.0 m -134.41 160.36 38.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.718 HG11 ' CB ' ' A' ' 94' ' ' PHE . 42.1 t -50.72 -33.01 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.98 -56.2 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -71.91 -12.1 61.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -88.08 -37.65 16.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.586 HD12 HG12 ' A' ' 78' ' ' VAL . 4.8 mt -90.45 -30.9 17.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -79.56 -4.51 51.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.3 t -116.4 11.17 14.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.2 mt -113.2 -64.7 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -156.02 -51.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.685 HD11 ' CD2' ' A' ' 90' ' ' TYR . 2.0 pt? -131.94 133.99 45.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.39 -8.35 41.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.34 -42.98 70.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.685 ' CD2' HD11 ' A' ' 87' ' ' LEU . 1.5 m-85 -52.94 -27.88 20.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.447 HG22 HD12 ' A' ' 95' ' ' LEU . 87.6 m -45.91 -35.19 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -61.02 -54.8 40.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.81 87.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.718 ' CB ' HG11 ' A' ' 78' ' ' VAL . 19.2 m-85 -55.34 -47.65 75.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.447 HD12 HG22 ' A' ' 91' ' ' THR . 9.6 mt -61.7 -62.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.1 pt -53.81 -26.4 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -73.93 -32.69 63.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.58 13.88 5.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.678 ' OH ' HD13 ' A' ' 108' ' ' ILE . 84.5 m-85 -88.02 95.65 10.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 110.897 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.68 -31.8 6.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -99.61 168.96 9.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.1 mmt -83.86 -53.54 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -49.57 -33.89 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.01 -41.3 71.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.611 HD23 ' CD1' ' A' ' 99' ' ' TYR . 21.8 mt -64.49 -22.9 67.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -95.4 4.53 53.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -98.13 -24.53 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.678 HD13 ' OH ' ' A' ' 99' ' ' TYR . 39.2 pt -86.88 152.87 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -104.06 -177.66 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -52.05 -64.38 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.3 p -50.36 -41.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 116' ' ' VAL . 18.4 mm-40 -59.36 -40.87 87.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.641 HD21 ' HB ' ' A' ' 119' ' ' ILE . 2.3 tt -69.5 -39.28 77.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 39.3 mt -77.44 -17.33 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.93 -21.94 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 112' ' ' GLU . 89.1 t -104.56 -56.97 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.486 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.4 mm? -84.53 -25.12 28.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt 58.98 47.93 11.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.641 ' HB ' HD21 ' A' ' 113' ' ' LEU . 13.4 mt -94.37 102.39 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -97.44 -36.71 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.5 tp -51.01 129.18 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.474 HD11 ' HB3' ' A' ' 43' ' ' GLU . 44.7 mt -62.73 -47.86 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.37 -63.62 4.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -57.85 -53.7 55.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -66.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.425 ' HD3' HG22 ' A' ' 35' ' ' VAL . 22.2 ttmm -52.47 -41.47 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -64.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.511 HD11 HD11 ' A' ' 113' ' ' LEU . 33.3 pt -61.71 -31.35 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 129' ' ' LEU . 12.2 mt -61.54 -48.33 81.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.19 -38.94 72.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 p -64.12 -43.69 94.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.29 -51.31 31.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 140.66 123.15 1.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -93.17 140.35 29.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.878 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.72 0.295 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -122.13 160.6 24.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -121.6 137.12 54.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.0 t -50.09 -44.71 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.22 -43.71 84.06 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.25 -57.16 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.7 t90 -53.45 -44.67 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 11' ' ' ILE . 8.9 tp -64.3 -46.18 84.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.58 -30.27 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -75.8 -57.08 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.618 HG21 ' HB1' ' A' ' 58' ' ' ALA . 27.6 pt -58.15 -32.5 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.98 -114.46 0.36 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.517 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 mt -134.7 159.0 73.83 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.681 0.753 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 75.87 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.406 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -119.59 -29.26 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.508 ' H ' HD21 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -101.49 1.56 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.11 -66.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -52.42 -51.65 58.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.36 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -49.65 -55.83 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.97 -60.88 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.51 -20.55 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -91.64 13.86 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.4 -23.7 26.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -77.06 66.86 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.962 0.41 . . . . 0.0 110.839 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -98.41 -22.22 16.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -122.42 127.68 49.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -53.44 -32.32 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -57.72 -27.73 63.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.78 -25.98 43.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.737 ' O ' HG12 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -52.23 -31.23 31.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.49 81.54 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 57.67 28.06 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.828 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 59.84 52.86 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 31' ' ' MET . 7.4 p -84.46 -3.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.95 147.37 5.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.94 176.29 8.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.29 -48.14 82.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -51.67 -39.18 57.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -67.81 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -46.93 -33.53 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 tp -77.69 -44.89 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' HB3' HD11 ' A' ' 122' ' ' ILE . 43.1 tt0 -56.14 -35.52 67.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 41' ' ' LEU . 70.8 mt -53.19 -73.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.99 73.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.3 mm -117.97 115.41 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.4 mp -90.18 -70.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -50.62 144.28 8.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 t -80.02 -25.26 40.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.47 -1.21 81.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.71 -56.27 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -39.03 57.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -62.23 -54.27 43.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -54.6 -55.9 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.77 -33.14 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 56' ' ' LEU . 7.5 mt -61.55 -58.16 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -63.15 -32.78 74.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.618 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -69.71 -40.38 76.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.735 HD11 ' CG ' ' A' ' 31' ' ' MET . 10.3 tp -86.65 -12.9 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -97.45 -22.43 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 61' ' ' LEU . 4.2 tt -116.39 -40.56 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 58' ' ' ALA . 3.8 mm? 61.2 157.67 0.11 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.606 0.717 . . . . 0.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 157.01 61.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.306 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -54.01 -45.14 71.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.501 ' O ' ' C ' ' A' ' 66' ' ' ARG . 23.8 ttm -65.5 162.49 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER 30.19 66.84 0.79 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.74 . . . . 0.0 110.876 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -44.53 2.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.9 tp -154.69 145.95 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.85 -132.81 6.45 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.442 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -128.71 136.18 50.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -95.89 -69.08 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.64 120.04 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.4 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.62 149.89 35.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -168.79 157.21 7.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.527 0.679 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.526 ' O ' HG23 ' A' ' 76' ' ' THR . 53.7 Cg_endo -69.72 116.23 4.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 75' ' ' PRO . 0.7 OUTLIER -161.72 173.54 14.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.136 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 m -74.75 173.8 10.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.77 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.9 t -54.86 -41.37 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.38 -70.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -51.38 -40.05 58.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.5 ' CH2' HD11 ' A' ' 132' ' ' LEU . 14.7 t90 -57.52 -68.42 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.99 -28.47 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -56.94 -23.62 46.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -100.47 -12.12 19.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 85' ' ' ILE . 9.7 mm -90.53 12.35 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 66.89 13.73 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.42 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.3 mm? -109.51 178.4 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.67 -53.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.35 -39.25 45.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.42 ' CD2' HD12 ' A' ' 87' ' ' LEU . 25.4 m-85 -52.83 -32.47 44.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -46.2 -35.73 5.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -65.04 -57.09 9.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.65 -47.28 86.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -56.26 -47.03 79.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.23 -61.07 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.8 pt -56.04 -25.03 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -75.3 -27.17 59.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.48 11.31 15.38 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.432 ' CE2' HD21 ' A' ' 117' ' ' LEU . 77.2 m-85 -80.8 97.91 7.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.961 0.41 . . . . 0.0 110.96 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.64 -48.28 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.196 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.42 ' H ' HD12 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -99.67 137.67 37.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -33.22 74.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -41.88 62.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.42 HD12 ' H ' ' A' ' 101' ' ' SER . 6.0 mt -58.98 -30.6 68.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.438 ' HB3' HD13 ' A' ' 132' ' ' LEU . 24.5 mt -61.63 -24.08 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -93.78 16.61 13.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.29 21.43 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.7 pt -128.75 162.92 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -113.76 177.94 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.694 ' OE2' HD11 ' A' ' 114' ' ' ILE . 35.1 tp10 -53.17 -59.3 4.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -51.2 -42.59 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 116' ' ' VAL . 64.9 mm-40 -60.39 -43.41 96.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.73 HD11 HD12 ' A' ' 119' ' ' ILE . 28.3 tp -65.09 -38.56 91.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.694 HD11 ' OE2' ' A' ' 110' ' ' GLU . 47.9 mt -80.27 -17.56 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.33 -19.05 20.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 112' ' ' GLU . 93.1 t -107.68 -55.2 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.532 HD23 HD12 ' A' ' 113' ' ' LEU . 3.4 mm? -90.34 -28.1 18.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 49.38 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.73 HD12 HD11 ' A' ' 113' ' ' LEU . 22.8 mt -95.55 97.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -93.07 -21.26 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.9 tp -65.66 118.42 9.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.449 HD11 ' HB3' ' A' ' 43' ' ' GLU . 65.7 mt -54.38 -44.45 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.04 -73.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.547 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -49.12 -52.28 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.723 0.296 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -50.78 -65.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -51.8 -34.99 42.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.43 -66.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.413 HD11 HD12 ' A' ' 119' ' ' ILE . 16.2 pt -62.44 -36.09 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.4 tp -60.27 -59.84 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 35' ' ' VAL . . . -63.94 -30.37 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -67.41 -52.19 42.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.902 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.5 HD11 ' CH2' ' A' ' 81' ' ' TRP . 44.6 mt -69.4 -52.28 28.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.05 -147.45 4.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.93 166.97 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.827 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.893 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -90.56 162.59 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 m -115.69 124.87 51.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.2 t -51.6 -43.4 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.22 70.03 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -58.22 -52.8 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.46 ' CE2' HD13 ' A' ' 11' ' ' ILE . 57.9 t90 -60.24 -56.04 26.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.706 HD21 ' HB2' ' A' ' 16' ' ' TYR . 12.2 tp -56.9 -27.67 61.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -76.23 -39.83 53.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 t -67.49 -43.21 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.46 HD13 ' CE2' ' A' ' 7' ' ' TRP . 27.3 pt -81.1 -30.53 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.37 -107.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -153.03 159.25 32.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -8.23 23.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -54.06 -27.19 30.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.731 ' CE1' HG23 ' A' ' 46' ' ' ILE . 92.9 m-85 -102.34 -13.84 17.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -51.6 -54.28 29.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -51.62 -49.59 61.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -53.6 56.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.798 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.73 -58.98 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.9 ttm -51.03 -56.39 12.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.22 -22.92 53.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' HA ' HD11 ' A' ' 121' ' ' LEU . 1.4 m-80 -93.33 19.69 7.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.48 -24.57 22.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -78.29 70.04 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -102.55 -24.96 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -117.58 126.42 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.9 t -57.43 -22.06 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -57.67 -30.11 65.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.57 -25.98 29.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.604 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -77.53 -29.89 52.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.62 -60.94 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.443 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . 78.8 p -53.46 -47.9 69.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.435 ' HB2' ' HB2' ' A' ' 130' ' ' ALA . 2.7 m120 -152.25 108.9 3.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.7 m -53.88 148.42 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.458 ' HB2' HD13 ' A' ' 59' ' ' ILE . 10.3 mtp -52.16 151.0 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -126.96 170.41 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -50.02 69.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -58.21 -44.56 88.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.85 -66.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 pp -51.28 -31.17 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.7 tp -73.42 -35.38 65.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.763 ' HB3' HD11 ' A' ' 122' ' ' ILE . 2.3 tt0 -74.74 -30.19 61.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.9 mm -49.66 -67.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.19 39.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.731 HG23 ' CE1' ' A' ' 16' ' ' TYR . 6.2 mt -105.83 29.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.36 146.92 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 t30 63.55 55.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.605 ' OG ' HG22 ' A' ' 46' ' ' ILE . 3.4 p -166.95 163.26 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.49 -1.43 56.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.538 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -58.31 -22.69 53.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.791 0.329 . . . . 0.0 110.812 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -51.58 -58.0 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -55.29 -31.06 61.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -66.0 -58.1 6.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.401 HD12 ' CD1' ' A' ' 46' ' ' ILE . 58.9 mt -61.42 -33.12 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 56' ' ' LEU . 12.1 mt -65.78 -62.98 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -59.23 -35.47 73.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.15 -61.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.645 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -58.68 -25.16 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -76.93 -43.9 33.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.412 HD13 ' HB3' ' A' ' 64' ' ' LYS . 0.2 OUTLIER -79.81 -15.16 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 59' ' ' ILE . 6.7 mt -50.21 -60.4 5.3 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 54.3 Cg_endo -69.74 -37.95 8.52 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.662 2.242 . . . . 0.0 112.403 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HB3' HD13 ' A' ' 61' ' ' LEU . 4.4 tppt? -51.64 -36.47 46.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.8 mmm -101.69 116.38 32.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 58.85 70.98 1.04 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 149.42 66.93 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.8 tt -84.54 -31.01 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.89 -136.95 9.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -138.29 143.79 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -132.11 137.94 47.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.19 -153.76 9.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.5 176.43 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -142.52 160.6 53.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 106.72 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.9 p -141.4 176.42 8.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 m -76.85 161.64 28.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.672 HG21 ' HB3' ' A' ' 99' ' ' TYR . 61.7 t -52.97 -36.03 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.85 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -61.6 -18.07 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.604 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 10.0 t90 -76.64 -51.94 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 85' ' ' ILE . 11.0 mt -76.2 -39.71 54.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.33 -25.54 67.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.0 t -89.68 5.24 46.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.525 HD11 ' OG ' ' A' ' 131' ' ' SER . 70.9 mt -110.46 -74.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -174.1 -52.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 90' ' ' TYR . 3.8 mm? -51.48 -79.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.07 -54.43 4.23 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -50.28 -41.5 50.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.498 ' CD2' HD12 ' A' ' 87' ' ' LEU . 5.1 m-85 -51.22 -28.14 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.422 HG22 HD12 ' A' ' 95' ' ' LEU . 92.4 m -44.76 -38.18 4.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.81 -59.67 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.38 76.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.06 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.656 ' HB3' HG11 ' A' ' 78' ' ' VAL . 9.4 m-85 -58.49 -53.91 53.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.422 HD12 HG22 ' A' ' 91' ' ' THR . 5.9 mt -54.41 -57.23 12.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.3 pt -59.15 -27.59 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -73.76 -17.67 61.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.0 12.3 14.42 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.672 ' HB3' HG21 ' A' ' 78' ' ' VAL . 70.6 m-85 -90.07 98.7 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 0.0 110.904 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.41 -20.66 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.423 ' H ' HD12 ' A' ' 104' ' ' LEU . 6.7 m -127.25 127.49 44.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.484 ' HG3' HD12 ' A' ' 105' ' ' LEU . 8.3 ttm -54.37 -32.88 57.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -51.27 -44.75 61.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.423 HD12 ' H ' ' A' ' 101' ' ' SER . 9.7 mt -54.9 -31.61 60.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.484 HD12 ' HG3' ' A' ' 102' ' ' MET . 25.3 mt -61.97 -19.61 62.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -22.03 60.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -103.25 17.99 22.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.8 mm -99.16 128.6 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -102.97 172.02 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.064 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -54.45 -64.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.2 p -49.68 -45.89 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 116' ' ' VAL . 4.4 mm-40 -58.71 -36.66 74.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.564 HD11 ' CD1' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -70.58 -39.54 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.469 ' N ' HD23 ' A' ' 113' ' ' LEU . 40.1 mt -76.38 -20.59 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -91.94 -27.57 17.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 112' ' ' GLU . 98.8 t -96.64 -58.38 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 117' ' ' LEU . 3.3 mm? -84.28 -39.06 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.8 mttt 64.4 47.05 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.564 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.8 mt -67.07 -62.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.6 t30 50.15 49.36 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.509 HD23 ' CD2' ' A' ' 124' ' ' HIS . 12.1 tp -145.53 127.45 15.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 43' ' ' GLU . 7.6 mm -52.97 -64.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -44.99 -66.45 1.47 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.509 ' CD2' HD23 ' A' ' 121' ' ' LEU . 28.8 m170 -49.85 -46.89 51.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.14 -63.82 1.03 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.53 -42.32 54.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -57.94 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.604 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 49.4 mt -63.39 -54.26 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.6 tp -50.51 -31.97 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 33' ' ' SER . . . -76.47 -47.45 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.525 ' OG ' HD11 ' A' ' 85' ' ' ILE . 32.4 t -63.89 -26.57 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.7 mt -87.19 -45.17 10.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 88.89 164.81 40.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.496 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -118.14 -31.23 5.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.776 0.322 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.61 -179.61 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 m -152.75 134.14 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -52.35 -49.17 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.46 -41.4 88.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.4 -52.11 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.724 0.297 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.407 ' NE1' HD11 ' A' ' 62' ' ' LEU . 40.8 t90 -61.49 -53.21 59.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.694 HD12 HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -54.16 -44.29 71.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.79 -36.1 81.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.7 t -65.7 -39.16 90.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.511 HG21 ' HB1' ' A' ' 58' ' ' ALA . 49.3 pt -82.51 -25.08 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.03 -112.18 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.0 159.19 43.61 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.569 0.699 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 73.28 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.47 2.11 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -137.93 10.07 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.65 -55.53 22.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -56.56 -49.39 74.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.73 -59.17 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.694 HD22 HD12 ' A' ' 8' ' ' LEU . 3.0 mp -50.21 -59.43 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.1 ttm -50.51 -57.03 9.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.63 -23.33 50.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -93.24 20.33 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.91 -24.44 21.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.409 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.23 69.63 4.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.37 -24.49 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -121.39 129.72 53.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 t -59.15 -23.06 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -59.88 -21.92 61.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.62 -20.48 56.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.545 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -92.53 -7.0 48.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.48 139.11 31.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m 52.22 32.66 11.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 110.813 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -168.18 -178.98 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.7 m -148.03 130.31 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.487 ' HB3' HG21 ' A' ' 59' ' ' ILE . 3.0 ttt -52.15 107.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -79.64 158.69 26.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -53.42 -44.27 68.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.72 -55.76 10.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.58 -50.42 72.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.665 HD11 HD12 ' A' ' 55' ' ' ILE . 16.6 tp -49.04 -53.08 21.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.616 HD23 ' HD2' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -68.39 -29.45 68.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -67.3 -31.21 71.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 41' ' ' LEU . 28.4 mt -63.54 -74.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.68 52.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.442 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.3 mm -113.62 154.58 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.883 0.373 . . . . 0.0 111.107 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.413 ' H ' HD12 ' A' ' 47' ' ' LEU . 6.1 mp -70.5 -177.93 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -63.08 -72.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 m -117.43 29.65 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.77 -80.71 0.84 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -109.54 -7.95 15.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.616 ' HD2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -51.3 -63.6 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -52.34 -37.66 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 tpt85 -56.74 -63.17 1.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.665 HD12 HD11 ' A' ' 41' ' ' LEU . 78.7 mt -59.59 -34.37 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.61 -63.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.418 ' HG2' HD12 ' A' ' 61' ' ' LEU . 32.0 tt0 -57.72 -34.29 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.511 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -66.74 -69.63 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.633 HD12 HD12 ' A' ' 62' ' ' LEU . 4.6 tp -52.46 -28.97 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -79.14 -32.87 44.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.418 HD12 ' HG2' ' A' ' 57' ' ' GLN . 19.4 mt -80.38 -20.55 43.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 59' ' ' ILE . 37.5 mt -48.5 107.72 0.81 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.986 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 62' ' ' LEU . 54.0 Cg_endo -69.71 -170.54 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.386 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -139.34 114.95 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.9 mtp -96.4 -36.64 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -153.39 70.79 6.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -178.03 2.14 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.74 2.293 . . . . 0.0 112.301 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.6 mm -98.36 141.99 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.42 -63.64 5.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -136.08 131.54 34.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.832 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -83.15 156.78 23.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.16 -111.38 1.71 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 54.79 45.43 26.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -114.21 74.56 2.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -8.76 24.41 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 p -52.06 -68.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -171.52 161.52 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.498 HG11 ' CB ' ' A' ' 94' ' ' PHE . 40.5 t -51.15 -37.63 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.72 -55.76 26.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -70.78 -14.85 62.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.446 ' CE3' HG13 ' A' ' 78' ' ' VAL . 9.6 t90 -81.51 -39.07 25.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.449 HD12 HG12 ' A' ' 78' ' ' VAL . 7.5 mt -91.15 -43.45 9.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -26.89 62.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.0 m -83.67 -12.87 55.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.482 HD11 ' OG ' ' A' ' 131' ' ' SER . 85.1 mt -88.09 -72.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.573 ' HB3' HD23 ' A' ' 87' ' ' LEU . 5.8 tt0 -159.78 -54.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD21 ' HD2' ' A' ' 127' ' ' ARG . 0.9 OUTLIER -120.63 123.3 42.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.99 -2.8 58.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -54.0 -40.87 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 87' ' ' LEU . 8.1 m-85 -51.93 -29.71 21.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.0 m -45.08 -36.84 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.591 ' O ' HG23 ' A' ' 96' ' ' ILE . 4.9 mmtm -62.22 -50.04 73.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' HA ' HG12 ' A' ' 96' ' ' ILE . . . -63.08 -47.13 84.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.498 ' CB ' HG11 ' A' ' 78' ' ' VAL . 21.9 m-85 -55.73 -47.58 76.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 40.9 mt -63.1 -62.97 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.591 HG23 ' O ' ' A' ' 92' ' ' LYS . 25.8 pt -49.88 -29.59 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -73.95 -36.04 64.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.53 -11.46 4.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.634 ' CD1' HD23 ' A' ' 105' ' ' LEU . 97.7 m-85 -65.45 97.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.888 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.99 -40.43 6.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.6 m -107.05 163.29 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.4 ttm -74.03 -43.23 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.43 -39.11 31.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 104' ' ' LEU . 2.0 tt -57.83 -37.7 74.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.634 HD23 ' CD1' ' A' ' 99' ' ' TYR . 12.3 mt -64.88 -20.0 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -86.61 -8.34 57.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -93.8 18.26 10.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.3 pt -138.93 142.65 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.587 ' HB3' ' OE1' ' A' ' 112' ' ' GLU . . . -98.5 -173.09 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -52.84 -62.32 1.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 112' ' ' GLU . 4.0 p -49.55 -42.66 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.162 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.587 ' OE1' ' HB3' ' A' ' 109' ' ' ALA . 11.7 mp0 -60.76 -40.09 91.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.722 HD11 HD12 ' A' ' 119' ' ' ILE . 38.8 tp -68.16 -38.45 82.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.9 mt -80.8 -16.57 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.89 -21.02 17.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.488 HG12 HD22 ' A' ' 117' ' ' LEU . 93.6 t -102.43 -52.47 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.518 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.8 mm? -91.31 9.99 29.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.2 pttt 39.02 45.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.722 HD12 HD11 ' A' ' 113' ' ' LEU . 57.9 mt -93.01 98.59 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -94.84 -34.24 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.42 HD23 ' CD2' ' A' ' 124' ' ' HIS . 3.2 tp -51.54 124.96 13.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.24 -50.16 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.05 -64.29 3.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.42 ' CD2' HD23 ' A' ' 121' ' ' LEU . 35.4 m170 -53.19 -53.78 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.732 0.301 . . . . 0.0 110.811 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -28.37 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -63.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.615 ' HD2' HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -48.02 -41.14 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.523 HD12 HD13 ' A' ' 119' ' ' ILE . 21.1 mt -71.58 -50.99 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 63.0 tp -51.1 -47.45 61.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.74 -43.07 69.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.482 ' OG ' HD11 ' A' ' 85' ' ' ILE . 35.5 t -57.67 -32.45 67.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.62 -51.63 8.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 94.01 101.89 1.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.436 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -110.13 -29.53 8.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.319 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.926 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.768 0.318 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -112.27 158.51 19.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -126.76 128.91 47.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.7 t -51.11 -50.46 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.66 -48.01 67.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.417 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -58.26 -57.3 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.517 ' CH2' HD13 ' A' ' 59' ' ' ILE . 52.7 t90 -57.23 -57.68 11.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.771 HD21 ' HB2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -52.06 -33.73 40.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -76.96 -30.55 56.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.5 t -78.7 -23.75 45.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 pt -102.22 -20.25 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.412 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -142.83 -137.82 3.37 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.409 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.412 HD22 ' C ' ' A' ' 12' ' ' GLY . 4.0 mm? -116.53 157.58 45.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.576 0.703 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -169.72 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 63.34 13.34 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.771 ' HB2' HD21 ' A' ' 8' ' ' LEU . 3.2 m-85 -109.97 -24.84 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -54.35 -44.57 72.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -51.51 -48.45 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.51 -53.47 47.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 8' ' ' LEU . 1.1 mp -53.44 -61.29 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.26 -51.96 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.57 -27.95 65.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.562 ' HA ' HD11 ' A' ' 121' ' ' LEU . 1.7 m-80 -88.51 7.8 31.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.65 -24.02 31.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.404 ' HD2' HD11 ' A' ' 44' ' ' ILE . 2.4 m-85 -79.67 61.9 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -99.39 -17.35 18.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -120.91 124.75 45.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.38 -31.31 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.86 -25.16 55.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 -30.91 59.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.632 ' HG3' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -112.16 31.77 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.13 -56.22 3.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 p -80.64 -52.95 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.385 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.76 161.61 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.9 m -105.85 131.45 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.613 ' HB3' HG21 ' A' ' 59' ' ' ILE . 10.6 tpp -52.59 101.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -71.33 162.2 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.58 ' HA ' HD23 ' A' ' 41' ' ' LEU . 1.1 p30 -61.2 -48.75 80.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -54.81 -37.64 66.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.87 -62.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.58 HD23 ' HA ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -50.79 -29.26 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -84.82 -33.08 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.973 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.552 ' CB ' HD11 ' A' ' 122' ' ' ILE . 2.9 mt-10 -66.77 -34.55 78.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.41 HD11 HG21 ' A' ' 122' ' ' ILE . 23.5 mm -50.85 -73.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.32 36.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.448 HD12 ' CE2' ' A' ' 16' ' ' TYR . 34.0 mm -90.19 99.48 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.19 -67.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -52.21 103.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 p -59.82 -23.69 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.25 -21.65 62.18 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -77.45 -22.39 51.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.812 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.66 -58.98 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -54.09 -39.14 66.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -57.33 -61.15 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.73 -32.13 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.89 -71.55 0.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -33.18 25.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.86 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.632 HD11 ' HG3' ' A' ' 31' ' ' MET . 7.8 tp -66.63 -11.83 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -99.83 -27.19 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.4 tp -89.91 -46.91 8.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -47.99 157.57 0.62 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.75 62.5 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.393 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 164.99 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.1 tpt -76.84 111.75 12.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 64.53 153.5 0.12 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.728 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -34.07 15.39 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.683 2.256 . . . . 0.0 112.368 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 tt -83.43 139.61 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.17 34.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -108.45 150.11 27.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -64.36 155.17 33.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.71 39.35 0.2 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.0 159.89 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.054 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -118.04 68.05 6.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.521 0.676 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 162.62 41.35 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.364 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 -38.53 3.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -164.94 174.71 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.642 HG11 ' HB3' ' A' ' 94' ' ' PHE . 38.9 t -51.33 -40.01 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.97 -63.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -51.41 -31.95 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.574 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 5.1 t90 -70.43 -60.75 2.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.05 -22.33 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.14 -26.4 38.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -96.97 -14.99 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 85' ' ' ILE . 10.7 mm -88.84 10.67 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 59.03 28.05 17.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.636 HD22 ' CD2' ' A' ' 90' ' ' TYR . 13.5 mt -127.42 145.16 50.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.39 -44.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -53.08 -40.62 64.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.636 ' CD2' HD22 ' A' ' 87' ' ' LEU . 5.9 m-85 -51.91 -31.22 27.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.1 m -49.16 -38.26 24.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -61.29 -55.71 28.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.49 86.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.642 ' HB3' HG11 ' A' ' 78' ' ' VAL . 7.8 m-85 -55.72 -45.1 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.96 -63.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.5 pt -52.63 -29.06 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.182 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -68.25 -35.1 77.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.17 12.25 5.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.758 ' CD1' HD12 ' A' ' 104' ' ' LEU . 87.1 m-85 -86.34 97.64 10.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.3 p -113.15 -37.96 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -105.17 137.02 43.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.648 ' SD ' HD12 ' A' ' 105' ' ' LEU . 12.2 tpp -54.64 -47.74 73.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -47.44 -33.99 6.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.758 HD12 ' CD1' ' A' ' 99' ' ' TYR . 1.8 tm? -54.97 -44.32 74.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.648 HD12 ' SD ' ' A' ' 102' ' ' MET . 19.8 mt -61.83 -21.79 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -68.15 -22.15 64.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.427 ' O ' HD12 ' A' ' 108' ' ' ILE . 41.6 mtpt -99.54 20.17 14.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 107' ' ' LYS . 1.4 mp -117.13 139.48 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.16 -172.66 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.034 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -57.2 -56.51 20.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 112' ' ' GLU . 4.7 p -55.17 -44.66 75.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 111' ' ' VAL . 6.4 mm-40 -61.8 -35.56 78.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.913 HD11 HD12 ' A' ' 119' ' ' ILE . 14.8 tp -69.5 -44.68 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.9 mt -78.38 -15.26 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -96.86 -21.9 17.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.75 -56.71 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.44 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.8 mm? -83.92 -20.31 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt 58.72 46.94 13.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.913 HD12 HD11 ' A' ' 113' ' ' LEU . 32.1 mt -92.25 117.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -117.98 -28.04 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.562 HD11 ' HA ' ' A' ' 23' ' ' ASN . 15.0 tp -51.69 131.54 30.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.552 HD11 ' CB ' ' A' ' 43' ' ' GLU . 7.0 mm -54.75 -65.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -45.14 -63.31 2.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.544 ' CD2' HD23 ' A' ' 121' ' ' LEU . 30.3 m170 -51.93 -41.27 61.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -61.98 -69.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -49.7 -45.02 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -55.14 -69.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.641 HD12 HD13 ' A' ' 119' ' ' ILE . 76.5 mt -52.12 -53.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.4 OUTLIER -51.49 -35.47 40.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.6 -49.23 55.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.1 p -56.23 -43.54 78.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 67.8 mt -75.22 -34.58 61.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -166.0 107.32 0.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.395 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -75.48 -27.28 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.8 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.409 HG21 HD11 ' A' ' 68' ' ' ILE . 10.7 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.313 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -105.44 177.57 4.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m -160.0 137.26 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.8 t -49.72 -30.6 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.81 -54.41 33.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -67.12 -47.04 72.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -56.82 -57.2 13.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -58.14 -46.97 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.39 -34.6 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -68.87 -53.56 20.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.782 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.1 pt -65.83 -23.65 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.25 -105.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.4 mt -155.13 157.83 31.91 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.575 0.703 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 72.85 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.667 2.245 . . . . 0.0 112.267 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.46 -26.88 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.505 ' CE2' HG23 ' A' ' 46' ' ' ILE . 9.3 m-85 -113.35 -2.49 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -52.56 -46.95 67.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -58.53 -52.84 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -54.08 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.506 HD23 ' HB3' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -51.45 -61.49 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.4 mtp -50.33 -53.39 29.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.58 -24.27 63.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.549 ' HA ' HD11 ' A' ' 121' ' ' LEU . 4.4 t-20 -94.1 19.71 8.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.98 -24.19 22.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.506 ' HB3' HD23 ' A' ' 20' ' ' LEU . 3.2 m-85 -79.07 68.66 5.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -107.69 -10.28 15.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -125.85 129.12 48.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.2 t -59.3 -21.39 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.16 -24.77 65.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.71 -21.6 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -117.37 26.78 9.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.3 -55.02 3.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.9 p -95.04 -27.06 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 0.0 110.818 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' HB2' ' HB2' ' A' ' 130' ' ' ALA . 4.4 t30 -103.17 -177.25 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.4 t -145.57 120.04 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.424 ' CB ' HD13 ' A' ' 59' ' ' ILE . 20.5 ttm -59.37 123.85 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -97.68 -178.01 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.17 -35.87 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -54.11 -60.99 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.28 -40.82 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.605 HD21 ' CB ' ' A' ' 52' ' ' ARG . 7.2 tp -48.91 -52.12 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.66 -35.34 62.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -61.94 -25.66 67.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.43 HD13 HD12 ' A' ' 122' ' ' ILE . 8.8 mm -73.07 -69.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.19 42.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.531 HD13 HD12 ' A' ' 41' ' ' LEU . 4.4 mp -107.91 -13.75 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.5 tp -58.61 -21.2 52.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -51.14 -30.91 17.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.58 -179.59 5.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.77 57.43 2.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.54 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -114.61 -4.61 12.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.605 ' CB ' HD21 ' A' ' 41' ' ' LEU . 48.6 mtp180 -52.13 -49.32 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.04 -51.86 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.41 -61.19 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.503 HD12 HG21 ' A' ' 46' ' ' ILE . 60.5 mt -59.03 -31.25 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.475 ' HG ' HD22 ' A' ' 41' ' ' LEU . 8.6 mt -64.97 -58.48 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -61.87 -43.96 97.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.01 -59.09 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.424 HD13 ' CB ' ' A' ' 36' ' ' MET . 1.5 tt -61.89 -27.31 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.01 -44.11 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.25 -65.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.8 tp 47.38 77.45 0.46 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.78 108.29 2.05 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.738 2.292 . . . . 0.0 112.325 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -11.89 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.0 mtt -60.11 -47.63 85.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.486 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 2.3 mtt180 -56.58 -60.61 8.75 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.615 0.721 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 54.4 Cg_endo -69.78 -169.61 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.356 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.409 HD11 HG21 ' A' ' 1' ' ' VAL . 0.1 OUTLIER -111.52 -27.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.19 -146.4 24.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.523 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -155.17 178.89 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -113.28 -179.2 3.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.52 -142.53 12.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.0 178.85 9.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 111.166 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -124.32 73.82 59.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.29 61.0 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.1 m -117.63 -24.53 7.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.3 m -126.94 163.53 23.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.546 HG11 ' HB3' ' A' ' 94' ' ' PHE . 64.7 t -51.53 -38.44 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.04 -61.91 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -51.94 -30.93 26.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.524 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 7.1 t90 -76.0 -60.02 2.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.53 -27.74 17.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.62 -23.98 44.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -74.83 -22.39 58.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.624 ' HB ' HD12 ' A' ' 87' ' ' LEU . 1.8 mm -94.94 23.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 39.82 42.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.624 HD12 ' HB ' ' A' ' 85' ' ' ILE . 3.9 mt -110.99 -79.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.52 -52.46 4.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.88 -46.54 51.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.486 ' CD2' HD22 ' A' ' 87' ' ' LEU . 1.8 m-85 -53.8 -32.89 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.7 m -47.95 -34.1 8.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -64.41 -56.51 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.61 -44.29 89.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.546 ' HB3' HG11 ' A' ' 78' ' ' VAL . 11.6 m-85 -58.71 -47.72 83.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.95 -59.09 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.0 pt -56.8 -28.98 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -72.45 -26.46 61.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.87 5.08 20.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.717 ' CD1' HD11 ' A' ' 104' ' ' LEU . 90.9 m-85 -75.85 96.65 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.906 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.54 -30.67 8.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.178 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.466 ' HB2' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -102.0 170.67 7.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.5 ttt -101.67 -42.33 6.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.85 -41.35 64.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.717 HD11 ' CD1' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -59.61 -29.3 67.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.7 mt -59.18 -22.23 60.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -98.14 22.74 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -123.05 19.46 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.945 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 9.9 pt -125.54 162.73 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -112.18 -174.37 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.8 -57.14 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.7 p -51.31 -43.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.2 mm-40 -62.69 -47.41 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.991 HD11 HD12 ' A' ' 119' ' ' ILE . 11.8 tp -59.65 -36.35 76.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.7 mt -84.14 -19.05 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -93.0 -14.04 27.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 112' ' ' GLU . 61.3 t -114.68 -52.23 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.636 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.3 mm? -94.87 -25.78 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.1 tptm 64.81 46.29 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.991 HD12 HD11 ' A' ' 113' ' ' LEU . 24.8 mt -89.96 95.34 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -96.28 -32.95 12.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 23' ' ' ASN . 13.8 tp -51.84 124.26 12.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.43 HD12 HD13 ' A' ' 44' ' ' ILE . 73.1 mt -55.34 -51.06 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.89 -70.37 0.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.464 ' CE1' HD23 ' A' ' 121' ' ' LEU . 35.1 m170 -51.19 -36.29 40.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -67.69 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -44.24 76.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -51.84 -60.63 2.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.524 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 74.6 mt -59.12 -49.08 84.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.213 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.3 mp -51.61 -40.81 60.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' A' ' 34' ' ' ASN . . . -74.41 -43.05 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 t -56.86 -35.18 68.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.0 mt -82.91 -48.99 10.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 162.67 147.24 4.96 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -81.94 -53.29 6.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.369 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.899 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.756 0.312 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -116.76 143.06 46.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.47 HG22 ' H ' ' A' ' 5' ' ' GLY . 17.3 m -118.84 133.43 55.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.63 ' CG1' HD22 ' A' ' 20' ' ' LEU . 84.4 t -51.57 -36.69 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 3' ' ' THR . . . -63.49 -42.46 98.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -69.06 -47.57 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.436 ' CE2' HD11 ' A' ' 62' ' ' LEU . 56.2 t90 -64.04 -45.01 90.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.39 -51.47 67.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.71 -27.81 68.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.7 t -71.41 -43.66 66.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 pt -79.64 -32.45 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.695 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -149.44 -122.78 1.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 12' ' ' GLY . 4.1 mm? -132.8 157.27 78.77 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.625 0.726 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 74.06 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -125.35 -4.96 7.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -131.2 2.65 4.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.86 -62.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -49.53 -50.16 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -48.26 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.63 HD22 ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -53.52 -64.8 0.71 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.4 ptp -54.54 -45.69 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.3 67.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -95.93 19.64 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.64 -22.83 31.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.612 ' HB3' HD23 ' A' ' 20' ' ' LEU . 3.4 m-85 -78.96 68.6 4.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.914 0.388 . . . . 0.0 110.961 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -104.72 -24.53 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.1 122.05 43.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.8 t -51.07 -27.15 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -53.95 -41.16 67.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' HD3' ' A' ' 127' ' ' ARG . . . -59.37 -23.54 62.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.617 ' HB3' HD11 ' A' ' 59' ' ' ILE . 5.8 mmt -64.52 -27.0 68.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.33 -142.17 19.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 p -117.86 101.97 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.372 . . . . 0.0 110.82 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 63.32 31.41 15.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.98 -50.56 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttt -51.61 110.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -105.0 172.38 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.616 ' HA ' HD23 ' A' ' 41' ' ' LEU . 8.7 p-10 -58.45 -39.49 79.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.5 -43.49 79.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.5 -56.22 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.626 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -56.64 -23.38 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 tp -92.71 -28.98 16.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HB3' HD11 ' A' ' 122' ' ' ILE . 32.5 tt0 -74.93 -36.05 62.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 41' ' ' LEU . 21.0 mt -56.33 -74.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.16 38.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.58 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 46' ' ' ILE . 16.2 mm -83.61 0.92 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.893 0.377 . . . . 0.0 111.19 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.3 mt -58.46 -21.46 51.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -51.19 -36.52 41.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.27 166.72 23.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.18 74.5 1.24 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -117.66 17.31 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HG2' HD11 ' A' ' 41' ' ' LEU . 25.3 mtp180 -53.76 -57.92 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -60.7 -35.34 76.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -60.49 -68.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.12 -40.23 54.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.66 -48.91 79.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.19 -42.53 99.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.3 -54.42 37.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 31' ' ' MET . 1.1 tp -63.68 -28.16 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -74.43 -37.49 63.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 61' ' ' LEU . 1.4 pp -90.05 -12.13 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 59' ' ' ILE . 6.7 mt -48.91 -60.08 5.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.953 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.82 -11.25 30.39 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.6 -17.06 64.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 51.4 ttp -112.76 111.82 22.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 52.67 71.64 1.4 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 93.05 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -11.09 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.84 -113.51 2.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 m170 57.29 52.98 8.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -118.98 122.34 41.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.1 95.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.17 171.82 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 59.91 73.23 0.67 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.552 0.692 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 124.91 11.52 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.294 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 p -153.68 178.61 9.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -52.78 172.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 99' ' ' TYR . 18.6 t -59.34 -46.47 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.79 -61.9 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -51.04 -42.47 60.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.419 ' CH2' HG23 ' A' ' 128' ' ' ILE . 3.1 t90 -57.9 -62.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 87' ' ' LEU . 20.9 mt -60.0 -20.77 59.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.19 -35.14 73.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.9 m -83.01 -3.76 57.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 85' ' ' ILE . 6.5 mt -120.89 26.99 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.237 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 39.87 41.04 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.637 HD22 ' CD2' ' A' ' 90' ' ' TYR . 17.6 mt -130.07 30.96 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.28 -31.79 56.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.02 -41.94 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 87' ' ' LEU . 2.8 m-85 -54.77 -26.55 35.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.8 m -49.39 -31.98 10.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -57.0 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.54 -48.26 82.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -55.69 -45.8 77.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.48 -61.54 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.8 pt -54.46 -26.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -75.34 -29.79 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.23 20.27 6.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.729 ' CD1' HD11 ' A' ' 104' ' ' LEU . 71.6 m-85 -87.85 88.94 7.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 110.972 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.8 p -97.77 -43.89 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.732 ' HB2' HD23 ' A' ' 104' ' ' LEU . 1.2 m -86.98 169.78 12.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.3 ttt -101.32 -44.95 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.5 -39.19 64.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.732 HD23 ' HB2' ' A' ' 101' ' ' SER . 1.0 OUTLIER -59.39 -29.51 67.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 99' ' ' TYR . 48.9 mt -58.11 -22.83 52.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -96.4 23.7 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -116.66 -0.98 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.4 pt -107.16 160.66 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -111.23 177.86 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -51.12 -62.66 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.6 p -50.49 -45.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 116' ' ' VAL . 49.8 mm-40 -55.71 -42.23 74.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.758 HD11 HD12 ' A' ' 119' ' ' ILE . 13.2 tp -69.37 -35.77 76.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 59.7 mt -78.15 -17.52 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -99.99 -20.74 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 112' ' ' GLU . 93.1 t -104.32 -55.54 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.692 HD23 HD12 ' A' ' 113' ' ' LEU . 3.6 mm? -87.33 -24.47 24.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt 64.2 43.5 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.758 HD12 HD11 ' A' ' 113' ' ' LEU . 26.0 mt -90.95 106.06 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -102.29 -30.0 11.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.58 HD23 ' CD2' ' A' ' 124' ' ' HIS . 6.4 tp -55.06 135.94 48.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.407 HD11 ' HB3' ' A' ' 43' ' ' GLU . 67.4 mt -69.23 -52.15 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -52.15 -45.43 57.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.58 ' CD2' HD23 ' A' ' 121' ' ' LEU . 29.4 m170 -70.86 -60.63 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.94 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -31.12 20.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -73.61 -60.83 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.61 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 47.2 mtm180 -49.93 -44.86 50.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.581 HD12 HD13 ' A' ' 119' ' ' ILE . 58.6 mt -67.52 -51.81 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 67.8 tp -50.12 -46.87 54.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.89 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -46.79 78.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.1 mt -84.89 -25.84 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.56 89.27 1.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.6 103.84 15.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.327 . . . . 0.0 110.825 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.778 0.323 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.596 ' HG3' HG21 ' A' ' 28' ' ' VAL . 26.2 tp60 -106.29 153.38 22.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -136.96 128.5 28.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.45 -30.84 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.66 -50.82 45.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.58 -44.63 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.525 ' NE1' HD11 ' A' ' 62' ' ' LEU . 66.6 t90 -61.0 -44.49 97.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 14' ' ' PRO . 5.0 tp -65.44 -50.32 65.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -23.59 66.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -79.55 -39.83 30.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 7' ' ' TRP . 46.1 pt -78.4 -26.65 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.24 -127.49 0.89 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.618 HD13 ' HD2' ' A' ' 14' ' ' PRO . 0.4 OUTLIER -107.69 126.93 28.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 0.0 110.871 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.661 ' HA ' HD23 ' A' ' 8' ' ' LEU . 52.9 Cg_endo -69.88 74.87 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.302 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -131.98 5.07 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -121.03 -7.38 9.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -51.55 -47.78 63.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -53.4 -43.57 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -57.57 8.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.72 -59.41 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 ttt -51.92 -54.82 25.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.67 -23.47 59.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -92.89 19.65 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.02 -22.8 27.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -78.38 70.33 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.96 -18.05 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -121.14 125.33 46.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.596 HG21 ' HG3' ' A' ' 2' ' ' GLN . 17.3 t -55.03 -28.64 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -59.1 -33.46 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.92 -19.35 41.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.478 ' SD ' HG13 ' A' ' 28' ' ' VAL . 10.2 mtt -78.73 -21.33 48.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.07 -145.48 25.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.546 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -93.65 -70.78 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -117.82 29.01 8.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.06 -63.74 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.43 ' HG3' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -56.02 157.0 4.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -166.13 -171.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.33 -33.11 74.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -56.24 -60.35 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.58 -41.88 92.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 41' ' ' LEU . 7.2 tp -51.92 -44.14 63.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.834 HD12 HD22 ' A' ' 47' ' ' LEU . 29.9 tp -82.34 -28.68 31.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -65.47 -30.92 71.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -68.63 -74.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 151.34 39.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.815 HG21 HD12 ' A' ' 55' ' ' ILE . 15.3 mm -89.23 -8.6 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.834 HD22 HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -72.46 -9.53 58.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -51.57 -51.53 54.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.75 -25.99 7.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.667 ' O ' HG22 ' A' ' 46' ' ' ILE . . . 127.15 -132.35 7.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 t60 63.32 16.29 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.3 . . . . 0.0 110.815 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -62.69 -64.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -52.04 -34.54 43.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -64.47 -60.75 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.815 HD12 HG21 ' A' ' 46' ' ' ILE . 96.2 mt -58.52 -38.23 69.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -58.94 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -57.16 -36.91 71.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.47 -65.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' HA ' HD12 ' A' ' 62' ' ' LEU . 3.6 tt -52.5 -27.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -83.38 -32.18 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.7 tp -82.11 -16.2 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.525 HD11 ' NE1' ' A' ' 7' ' ' TRP . 19.9 mt -50.62 158.25 1.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -171.08 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.332 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.66 164.71 30.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.2 mtp -135.43 111.66 9.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.492 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 10.2 mmm-85 -62.55 -60.44 9.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 53.4 Cg_endo -69.81 165.33 31.37 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.0 mt -107.94 107.85 23.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.59 85.83 1.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.53 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -163.36 154.78 17.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -138.16 161.01 37.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 144.32 -132.64 4.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.13 161.73 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -83.81 138.66 40.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 99.36 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.279 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.0 m -97.61 -43.97 6.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.9 t -123.46 173.41 8.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.669 HG11 ' HB3' ' A' ' 94' ' ' PHE . 61.1 t -53.07 -40.21 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.3 -75.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -50.74 -34.01 25.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.589 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 14.8 t90 -58.33 -52.85 63.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.47 -27.48 58.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.99 -6.13 49.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -110.49 9.06 23.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.72 HG22 ' HG2' ' A' ' 86' ' ' GLU . 87.8 mt -114.64 -78.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.72 ' HG2' HG22 ' A' ' 85' ' ' ILE . 4.1 pt-20 -177.25 31.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.512 HD21 ' CD2' ' A' ' 124' ' ' HIS . 8.9 mt -145.63 -179.25 6.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.8 -52.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -55.02 -35.33 64.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.506 ' CD2' HD22 ' A' ' 87' ' ' LEU . 1.8 m-85 -52.53 -30.84 32.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.9 m -49.07 -37.15 20.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -61.6 -51.78 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.29 90.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.669 ' HB3' HG11 ' A' ' 78' ' ' VAL . 12.9 m-85 -57.43 -45.84 84.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.59 -60.51 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.9 pt -53.96 -29.05 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -72.59 -28.51 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.74 8.6 13.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.49 ' O ' HG21 ' A' ' 78' ' ' VAL . 92.0 m-85 -81.25 91.65 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.981 0.419 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.98 -72.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.405 ' N ' HD21 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -77.25 -176.85 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -30.13 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -50.82 -44.02 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -60.84 -30.53 70.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.489 HD13 ' CZ3' ' A' ' 81' ' ' TRP . 48.4 mt -63.21 -17.26 62.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -90.16 10.4 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -111.58 -45.76 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.939 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 113' ' ' LEU . 24.2 pt -54.82 152.02 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.217 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -103.91 178.62 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.508 ' C ' HD12 ' A' ' 114' ' ' ILE . 3.1 mt-10 -55.14 -66.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.807 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.1 -40.56 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 116' ' ' VAL . 10.7 mm-40 -55.07 -56.49 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.683 HD13 HD12 ' A' ' 119' ' ' ILE . 0.5 OUTLIER -69.2 -26.93 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.508 HD12 ' C ' ' A' ' 110' ' ' GLU . 29.9 mt -74.7 -23.86 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.42 -22.67 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 112' ' ' GLU . 71.0 t -91.1 -54.22 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.411 HD22 HG12 ' A' ' 116' ' ' VAL . 3.7 mm? -85.72 -18.05 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt 64.34 42.71 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.683 HD12 HD13 ' A' ' 113' ' ' LEU . 17.0 mt -91.09 100.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -94.59 -34.22 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.3 tp -52.46 130.82 32.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 31.6 mt -68.13 -50.08 61.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.87 -42.0 68.58 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.512 ' CD2' HD21 ' A' ' 87' ' ' LEU . 1.6 m-70 -71.89 -60.85 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -31.98 31.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -73.69 -54.89 7.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -37.86 53.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.589 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 57.4 mt -73.71 -53.77 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -52.62 -38.33 60.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.7 -37.54 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.487 ' OG ' HD11 ' A' ' 85' ' ' ILE . 1.7 t -61.02 -34.41 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 74.9 mt -92.88 -37.77 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.17 134.2 2.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -115.24 130.56 56.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.721 0.295 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.852 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.739 0.304 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -119.07 162.27 18.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 5' ' ' GLY . 26.1 m -152.18 124.81 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 86.0 t -53.39 -36.5 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.458 ' H ' HG22 ' A' ' 3' ' ' THR . . . -60.61 -47.96 88.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.432 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -66.92 -49.49 65.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.75 0.309 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -59.24 -51.83 68.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.552 HD21 ' H ' ' A' ' 16' ' ' TYR . 8.4 tp -58.55 -46.8 86.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.85 -36.15 78.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -66.71 -49.88 64.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' A' ' 58' ' ' ALA . 50.0 pt -69.91 -24.24 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.38 -102.83 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 mt -152.74 157.62 33.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.404 ' HA ' HD23 ' A' ' 8' ' ' LEU . 54.1 Cg_endo -69.7 72.4 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -127.71 -1.98 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.552 ' H ' HD21 ' A' ' 8' ' ' LEU . 2.8 m-85 -126.95 -1.46 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.45 -53.92 52.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -54.55 -45.06 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -63.69 -58.04 8.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mp -51.49 -58.53 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.3 ttm -52.47 -54.85 26.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.76 59.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.549 ' HA ' HD11 ' A' ' 121' ' ' LEU . 6.4 t-20 -92.07 14.67 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.34 -23.8 28.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.7 71.74 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.804 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -103.59 -22.98 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -111.61 123.65 50.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -53.37 -27.59 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -58.22 -30.81 66.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -23.84 64.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.9 mtt -67.76 -14.52 63.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.48 -139.37 21.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 p -126.05 -36.87 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.853 0.358 . . . . 0.0 110.92 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -112.42 -31.86 6.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.4 m -59.14 -176.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.403 ' HG2' HD12 ' A' ' 59' ' ' ILE . 0.9 OUTLIER 61.46 72.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.9 -167.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -50.95 -34.51 29.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -60.23 -57.96 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -39.66 94.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.777 HD21 ' HA ' ' A' ' 52' ' ' ARG . 13.0 tp -58.18 -41.73 84.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD22 ' NH2' ' A' ' 52' ' ' ARG . 26.8 tp -83.99 -22.29 31.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CB ' HD11 ' A' ' 122' ' ' ILE . 1.0 OUTLIER -74.56 -31.88 62.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.1 mt -67.73 -74.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.735 ' O ' HD13 ' A' ' 46' ' ' ILE . . . 167.45 60.28 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 45' ' ' GLY . 16.8 mm -128.18 125.88 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.848 0.356 . . . . 0.0 111.187 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.2 176.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.98 153.78 19.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.4 t 52.37 52.85 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.2 -94.82 0.1 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -86.22 -6.19 59.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.777 ' HA ' HD21 ' A' ' 41' ' ' LEU . 41.4 mtt180 -51.27 -64.25 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.27 -46.52 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.18 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.0 mt -51.3 -48.3 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HG ' HD22 ' A' ' 41' ' ' LEU . 12.9 mt -51.14 -58.5 5.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -52.16 -48.36 64.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.514 ' CB ' HG21 ' A' ' 11' ' ' ILE . . . -58.73 -45.36 89.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.403 HD12 ' HG2' ' A' ' 36' ' ' MET . 28.3 mm -64.34 -36.16 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.066 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -69.18 -37.94 78.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.6 mt -87.63 -72.51 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mt 44.41 75.59 0.63 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.656 0.741 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 78.67 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mtmm -161.09 107.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 ttt -125.94 138.1 53.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -138.55 70.02 45.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.523 0.678 . . . . 0.0 110.817 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -10.16 27.83 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.479 HD13 ' H ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -117.57 154.27 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.33 -123.0 1.43 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -106.36 140.82 38.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -128.13 165.94 19.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.28 96.18 0.93 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -136.09 121.39 19.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -138.75 68.36 43.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.515 0.674 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.82 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.3 p -97.91 -35.77 10.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -136.57 176.46 8.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.42 HG11 ' CB ' ' A' ' 94' ' ' PHE . 38.3 t -52.7 -40.55 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.17 -72.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.033 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -50.84 -31.86 18.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.602 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 12.6 t90 -62.79 -57.18 11.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.414 HD12 HG12 ' A' ' 78' ' ' VAL . 12.2 mt -69.45 -21.47 63.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.17 -34.7 64.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -95.14 21.78 7.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 85' ' ' ILE . 6.0 mt -134.25 23.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.163 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 56.4 23.88 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.513 HD22 ' CD2' ' A' ' 90' ' ' TYR . 22.4 mt -126.36 131.81 51.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.45 -42.99 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -54.24 -37.17 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.68 ' OH ' HG23 ' A' ' 119' ' ' ILE . 2.6 m-85 -52.85 -31.6 40.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -48.32 -36.1 13.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -65.35 -58.68 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.46 -44.51 84.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.42 ' CB ' HG11 ' A' ' 78' ' ' VAL . 7.8 m-85 -58.65 -49.27 78.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.5 mt -57.91 -57.39 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.9 pt -58.78 -28.11 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -72.81 -18.35 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.2 28.19 7.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -92.02 47.94 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -75.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.3 t -67.37 126.97 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.1 ttt -51.39 -35.01 36.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.71 -29.99 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -51.35 -47.83 62.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.23 -24.97 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -66.62 -17.65 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -127.28 50.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.8 mm -118.12 136.0 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.59 164.15 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.69 ' O ' HD23 ' A' ' 113' ' ' LEU . 37.6 mm-40 -46.99 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.6 p -48.53 -32.79 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 116' ' ' VAL . 3.9 tp10 -54.97 -63.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.844 HD12 HD12 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -67.55 -25.63 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.505 HD12 ' C ' ' A' ' 110' ' ' GLU . 48.2 mt -72.0 -26.28 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -101.71 -24.18 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 112' ' ' GLU . 86.7 t -87.76 -56.17 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.27 -16.84 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 51.27 37.78 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.844 HD12 HD12 ' A' ' 113' ' ' LEU . 81.3 mt -62.59 -62.85 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.199 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 52.09 37.36 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.598 HD23 ' CG ' ' A' ' 124' ' ' HIS . 12.2 tp -130.75 121.48 25.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.409 HD11 ' CB ' ' A' ' 43' ' ' GLU . 5.0 mm -56.62 -51.08 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.83 -56.72 19.21 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.598 ' CG ' HD23 ' A' ' 121' ' ' LEU . 44.9 m170 -61.97 -59.51 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.336 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.92 -27.56 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -74.25 -62.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -51.41 -39.43 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.602 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 58.2 mt -71.03 -51.3 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 55.9 tp -50.81 -46.68 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.65 -37.17 65.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.2 t -59.07 -34.51 72.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 55.6 mt -93.2 -54.66 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 131.96 163.88 10.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -129.07 171.64 12.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.88 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.756 0.312 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -117.86 165.88 13.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.575 HG22 ' H ' ' A' ' 5' ' ' GLY . 58.9 m -139.95 135.52 32.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.54 ' CG1' HD22 ' A' ' 20' ' ' LEU . 92.7 t -50.27 -39.21 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.575 ' H ' HG22 ' A' ' 3' ' ' THR . . . -61.0 -47.87 89.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.74 -53.0 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.766 0.317 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -58.86 -54.36 47.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.774 HD22 HD13 ' A' ' 20' ' ' LEU . 19.4 tp -57.69 -35.74 71.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -67.75 -39.87 84.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.9 t -66.47 -47.69 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.476 HD11 HD12 ' A' ' 8' ' ' LEU . 32.7 pt -74.55 -23.6 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.09 -103.76 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.403 HD13 ' OE1' ' A' ' 15' ' ' GLN . 97.1 mt -154.47 154.48 29.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.68 0.752 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.96 22.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.403 ' OE1' HD13 ' A' ' 13' ' ' LEU . 1.9 mp0 -53.7 -27.98 31.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.518 ' HB2' HD21 ' A' ' 8' ' ' LEU . 63.3 m-85 -101.04 -13.79 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -50.98 -47.59 61.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -51.7 -45.22 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -48.49 75.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.774 HD13 HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -52.85 -63.83 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.3 ptm -54.2 -45.87 72.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.07 67.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.487 ' HA ' HD11 ' A' ' 121' ' ' LEU . 6.3 t-20 -94.62 18.67 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.26 -20.79 44.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.436 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -78.93 63.57 3.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.45 -14.12 16.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.18 123.19 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -56.69 -22.61 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -59.32 -31.6 69.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.61 -14.45 58.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.455 ' HB3' HD11 ' A' ' 59' ' ' ILE . 2.6 mpp? -111.11 13.68 21.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.96 -28.58 25.17 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -115.0 -171.75 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -95.18 23.09 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.466 HG21 ' HG3' ' A' ' 126' ' ' LYS . 7.7 p -57.75 -37.37 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.406 ' CB ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -61.14 102.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -113.21 -176.74 2.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.4 -36.66 64.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -50.99 -59.86 3.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.99 -42.43 94.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 52' ' ' ARG . 3.4 tp -50.58 -39.38 49.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -87.56 -28.1 22.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.789 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -18.08 61.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 41' ' ' LEU . 9.6 mt -74.05 -49.71 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.21 -13.77 1.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.462 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mm -52.69 102.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 111.138 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 tp -104.91 -46.15 4.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -54.61 130.8 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.5 t -76.95 123.87 26.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.787 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.02 -51.48 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -75.1 -40.41 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.338 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.744 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -51.74 -46.09 63.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -63.99 -36.23 83.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -63.28 -51.03 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.18 -51.38 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.41 -52.6 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.45 -51.94 60.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.92 -56.16 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.455 HD11 ' HB3' ' A' ' 31' ' ' MET . 2.0 tt -65.87 -29.79 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -62.0 -43.25 99.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.02 -65.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mt 45.78 76.99 0.48 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 92.23 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.405 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -141.71 144.04 33.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -112.6 -25.64 9.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.542 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 10.3 tpt180 -54.33 -57.68 17.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 55.0 Cg_endo -69.72 89.67 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.757 2.305 . . . . 0.0 112.38 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.9 pt -136.6 162.26 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.59 -107.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.55 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.5 m80 58.42 35.21 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -146.94 126.58 13.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.36 150.6 6.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.37 123.19 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -142.11 140.08 18.92 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.718 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 111.3 2.77 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.384 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 35.8 p -138.86 154.69 48.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -85.65 169.56 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.71 HG11 ' CB ' ' A' ' 94' ' ' PHE . 49.2 t -52.65 -33.45 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.07 -67.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.94 -15.95 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -78.63 -37.61 41.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.585 HD12 HG12 ' A' ' 78' ' ' VAL . 5.1 mt -90.74 -38.16 13.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -66.91 -15.67 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -95.73 -17.59 21.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.733 HG22 ' HG2' ' A' ' 86' ' ' GLU . 80.9 mt -86.95 -77.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.733 ' HG2' HG22 ' A' ' 85' ' ' ILE . 62.9 mm-40 -139.75 -71.49 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -113.7 134.14 54.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.18 -4.09 55.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.448 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -56.22 -40.91 74.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.874 0.369 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 87' ' ' LEU . 6.3 m-85 -54.27 -24.58 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.037 0.446 . . . . 0.0 110.943 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.1 m -48.01 -32.5 6.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -64.28 -55.97 17.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.22 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.71 ' CB ' HG11 ' A' ' 78' ' ' VAL . 11.3 m-85 -58.84 -48.81 80.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.7 mt -60.07 -59.28 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.6 pt -56.44 -29.18 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.05 -25.45 62.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.457 ' O ' HD13 ' A' ' 104' ' ' LEU . . . 106.73 31.04 4.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.651 ' CD1' HD23 ' A' ' 105' ' ' LEU . 51.5 m-85 -98.58 34.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.963 0.411 . . . . 0.0 110.93 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 p -55.91 -29.32 59.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.0 t -101.96 129.34 48.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -48.09 81.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.78 -30.94 24.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 99' ' ' TYR . 1.3 tt -55.87 -36.93 68.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.651 HD23 ' CD1' ' A' ' 99' ' ' TYR . 12.9 mt -64.08 -23.8 67.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -5.89 58.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -104.74 26.48 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.2 pt -142.53 148.33 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.12 -175.31 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.518 ' HB2' HD21 ' A' ' 129' ' ' LEU . 36.6 tt0 -51.12 -58.19 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 112' ' ' GLU . 4.1 p -52.54 -42.94 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 116' ' ' VAL . 60.9 mm-40 -57.78 -46.11 85.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.884 HD11 HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -66.83 -37.8 85.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.1 mt -75.13 -19.82 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -97.26 -20.21 18.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 112' ' ' GLU . 97.0 t -103.06 -59.9 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 117' ' ' LEU . 3.5 mm? -78.28 -21.17 50.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt 64.2 41.92 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.884 HD12 HD11 ' A' ' 113' ' ' LEU . 25.4 mt -86.42 112.3 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.74 -33.46 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.502 HD23 ' CD2' ' A' ' 124' ' ' HIS . 12.2 tp -55.44 132.22 47.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.71 -58.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -46.65 -62.22 3.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.502 ' CD2' HD23 ' A' ' 121' ' ' LEU . 28.3 m170 -54.5 -59.04 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.57 -63.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.466 ' HG3' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -49.47 -38.78 31.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -52.71 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.523 HD12 HD21 ' A' ' 82' ' ' LEU . 20.9 mm -61.58 -57.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 110' ' ' GLU . 3.0 mp -51.47 -55.88 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.21 -44.62 71.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 t -54.96 -57.31 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.408 HD11 ' HB3' ' A' ' 105' ' ' LEU . 24.7 mt -60.55 -46.85 88.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 83.61 39.45 9.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -83.24 166.33 18.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.894 -179.887 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.881 0.372 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -127.87 134.5 49.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.4 t -50.91 -41.87 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.97 -47.63 85.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.423 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -66.11 -56.76 9.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.661 ' NE1' HD11 ' A' ' 62' ' ' LEU . 43.2 t90 -52.56 -53.4 46.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.639 HD12 HD11 ' A' ' 11' ' ' ILE . 12.8 tp -58.03 -44.91 87.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.39 -32.9 71.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 t -71.79 -55.48 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.639 HD11 HD12 ' A' ' 8' ' ' LEU . 37.9 pt -65.02 -22.24 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.55 -107.97 0.24 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.511 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.8 mt -153.57 158.82 32.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.644 0.735 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 76.84 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -125.41 -36.16 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -101.25 0.77 38.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.45 -46.95 66.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -61.2 -48.35 81.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -57.58 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -54.05 -57.93 9.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.3 ttm -48.24 -58.77 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.47 -22.18 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.534 ' HA ' HD11 ' A' ' 121' ' ' LEU . 3.3 m120 -90.52 13.37 15.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.33 -22.16 31.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -80.29 57.4 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -95.62 -20.3 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.54 125.76 54.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.3 -23.16 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -58.92 -23.93 61.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.03 -25.37 61.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.562 ' HG3' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 60' ' ' GLN . 34.8 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.668 ' HB2' HD13 ' A' ' 59' ' ' ILE . 51.9 ttm -52.11 152.47 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -111.49 157.38 20.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.523 ' HB2' HD11 ' A' ' 56' ' ' LEU . 1.4 t70 -56.07 -44.4 78.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -59.15 -39.54 82.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.86 -63.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.722 ' HA ' HD12 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -51.97 -31.0 27.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.2 tp -80.66 -32.33 36.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' HB3' HD11 ' A' ' 122' ' ' ILE . 27.7 tt0 -71.06 -33.76 70.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 41' ' ' LEU . 58.7 mt -54.57 -75.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.4 65.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 111.155 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.9 m80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.735 0.302 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.29 -55.93 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -57.79 -39.9 78.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -55.87 -57.24 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.56 -39.12 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 38' ' ' ASP . 6.8 mt -62.12 -62.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -57.08 -36.44 70.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 -66.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.668 HD13 ' HB2' ' A' ' 36' ' ' MET . 5.7 tt -52.57 -28.22 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.46 ' HA ' HG11 ' A' ' 35' ' ' VAL . 51.6 mt-30 -81.73 -32.43 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -81.86 -17.16 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.661 HD11 ' NE1' ' A' ' 7' ' ' TRP . 30.6 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.663 0.745 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.829 0.347 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t -149.46 178.23 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.613 HG12 HD12 ' A' ' 82' ' ' LEU . 21.9 t -55.83 -35.46 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.85 -73.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -52.93 -32.48 45.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.574 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 14.9 t90 -60.63 -56.91 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.613 HD12 HG12 ' A' ' 78' ' ' VAL . 6.5 mt -65.93 -28.55 69.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.52 -28.84 63.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -92.39 14.69 15.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 85' ' ' ILE . 5.9 mt -131.26 29.84 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 53.12 35.08 18.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.401 HD22 ' CD2' ' A' ' 90' ' ' TYR . 37.7 mt -144.49 140.81 29.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.81 -42.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -56.11 -33.16 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.506 ' OH ' HG23 ' A' ' 119' ' ' ILE . 2.9 m-85 -52.73 -29.14 25.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.2 m -48.16 -36.99 14.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -63.02 -62.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.65 -50.07 66.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.532 ' HB3' HG11 ' A' ' 78' ' ' VAL . 10.6 m-85 -54.92 -47.39 74.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.62 -61.28 2.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.9 pt -56.02 -23.36 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -76.11 -26.25 56.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.68 12.6 11.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.689 ' CD1' HD23 ' A' ' 105' ' ' LEU . 83.0 m-85 -87.04 97.65 10.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 110.968 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.72 -36.03 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.539 ' H ' HD12 ' A' ' 104' ' ' LEU . 74.5 m -111.18 138.06 48.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.1 ttm -51.77 -42.43 62.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -50.16 -39.7 44.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.539 HD12 ' H ' ' A' ' 101' ' ' SER . 90.3 mt -58.6 -35.75 72.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.689 HD23 ' CD1' ' A' ' 99' ' ' TYR . 16.0 mt -64.5 -20.08 65.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -99.91 11.39 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -112.38 22.21 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.468 HD13 ' OH ' ' A' ' 99' ' ' TYR . 32.1 pt -131.24 158.01 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -106.21 177.02 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -50.86 -62.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.8 p -51.47 -44.0 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.203 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 111' ' ' VAL . 70.0 mm-40 -59.24 -35.44 73.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.712 HD11 HD12 ' A' ' 119' ' ' ILE . 9.6 tp -71.4 -50.71 29.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 51.0 mt -70.38 -16.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -94.43 -31.81 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 64.1 t -92.71 -61.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.663 ' HB2' HD12 ' A' ' 113' ' ' LEU . 4.0 mm? -70.7 -27.4 63.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.53 42.57 27.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.712 HD12 HD11 ' A' ' 113' ' ' LEU . 96.2 mt -69.32 -57.35 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 51.47 46.64 26.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 23' ' ' ASN . 13.2 tp -149.31 116.6 6.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.402 HD11 ' HB3' ' A' ' 43' ' ' GLU . 68.0 mt -50.74 -49.21 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.45 -73.92 0.33 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -52.02 -34.83 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -63.5 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -41.12 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -54.42 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.574 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 53.7 mt -62.02 -46.68 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.5 tp -51.61 -42.43 61.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.01 -37.89 64.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 p -59.26 -40.1 84.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.3 mt -80.83 -48.5 12.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.537 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.898 0.38 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.23 131.78 54.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.14 -47.18 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.48 -36.71 85.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.91 -52.08 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -62.25 -48.66 78.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.73 -49.26 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.39 -34.99 77.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 t -65.83 -46.99 76.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.447 HG21 ' HB1' ' A' ' 58' ' ' ALA . 40.1 pt -75.19 -24.74 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.2 -107.02 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.6 mt -154.61 158.42 32.25 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.599 0.714 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 73.47 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -119.52 -23.07 6.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -118.41 16.07 13.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.949 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -63.14 -52.69 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -54.74 -51.37 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.27 -55.57 29.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -60.28 3.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.3 ttt -51.21 -56.77 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.54 -22.86 47.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -93.35 18.62 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.39 -23.71 26.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -77.86 64.88 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -95.9 -21.68 17.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -132.93 128.75 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.1 t -54.96 -25.84 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -59.27 -21.99 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.86 -19.52 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 36.3 mtt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.333 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.4 mtp -51.98 157.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -144.49 177.11 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.49 -40.4 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -52.87 -63.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.9 -45.71 78.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.663 HD13 HD13 ' A' ' 46' ' ' ILE . 1.2 mm? -51.92 -55.74 18.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.685 HD23 HH11 ' A' ' 52' ' ' ARG . 0.2 OUTLIER -68.82 -22.53 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -76.29 -27.46 56.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.7 mt -81.26 -71.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.58 46.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.663 HD13 HD13 ' A' ' 41' ' ' LEU . 3.6 mp . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 111.166 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.6 t60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.798 0.333 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.685 HH11 HD23 ' A' ' 42' ' ' LEU . 14.7 ttp180 -57.22 -61.03 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -50.16 -47.69 54.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -54.06 -65.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.2 mt -52.58 -41.46 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.59 -54.13 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -59.3 -40.08 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -64.76 -62.65 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -55.76 -29.14 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.095 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -76.01 -37.02 58.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -78.34 -22.3 48.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 59' ' ' ILE . 24.5 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.699 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.768 0.318 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.7 m -82.91 165.8 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.667 HG11 ' HB3' ' A' ' 94' ' ' PHE . 48.1 t -51.87 -44.79 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.33 -61.84 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -56.83 -23.89 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.413 ' CZ3' HD13 ' A' ' 105' ' ' LEU . 4.9 t90 -72.98 -63.08 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.44 -24.31 67.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -56.5 -31.73 64.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -93.65 18.52 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 85' ' ' ILE . 7.0 mt -133.54 26.02 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.53 21.29 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 87' ' ' LEU . 27.0 mt -125.64 125.97 43.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.31 -40.24 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.69 -40.94 63.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.714 ' OH ' HG23 ' A' ' 119' ' ' ILE . 11.4 m-85 -54.01 -30.92 49.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.7 m -50.01 -34.5 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -64.43 -57.87 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.54 88.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.667 ' HB3' HG11 ' A' ' 78' ' ' VAL . 7.8 m-85 -56.82 -46.24 81.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.14 -62.03 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 pt -52.86 -29.11 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -69.35 -33.9 73.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.01 13.73 4.86 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.423 ' CE2' HD21 ' A' ' 117' ' ' LEU . 73.9 m-85 -86.11 98.55 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.93 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.6 p -111.51 -39.53 4.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.55 ' H ' HD12 ' A' ' 104' ' ' LEU . 50.1 m -103.5 122.35 44.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 23.3 ttm -51.99 -38.44 56.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -50.13 -36.66 30.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.55 HD12 ' H ' ' A' ' 101' ' ' SER . 14.4 mt -57.61 -38.13 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.51 HD12 HD21 ' A' ' 132' ' ' LEU . 20.5 mt -57.62 -22.72 47.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -68.96 -31.06 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -93.8 19.28 9.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.8 mm -101.65 130.67 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.14 -179.57 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.4 -60.93 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 p -50.76 -42.91 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 116' ' ' VAL . 54.3 mm-40 -64.6 -38.83 92.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.556 HD11 HD13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -65.5 -43.73 89.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.508 ' N ' HD23 ' A' ' 113' ' ' LEU . 37.7 mt -77.38 -21.98 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -87.83 -22.67 24.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 112' ' ' GLU . 89.6 t -104.79 -60.77 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.6 mm? -80.87 -41.94 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.982 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm 64.3 37.51 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.714 HG23 ' OH ' ' A' ' 90' ' ' TYR . 2.6 mp -52.15 -49.73 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 55.07 40.85 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 tp -147.3 124.25 11.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 125' ' ' ARG . 61.6 mt -64.48 -42.65 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.38 -55.96 27.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -64.67 -58.23 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -49.16 -34.89 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -45.18 60.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -55.97 -49.58 73.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.2 pt -71.23 -38.19 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.05 -49.85 75.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.23 -37.38 72.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 t -62.63 -46.22 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.51 HD21 HD12 ' A' ' 105' ' ' LEU . 62.4 mt -71.87 -55.82 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -141.18 132.25 26.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.575 ' CG1' HD22 ' A' ' 20' ' ' LEU . 96.3 t -55.94 -36.38 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.59 -58.75 12.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -61.89 -51.45 68.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.4 ' CZ2' HD13 ' A' ' 11' ' ' ILE . 63.0 t90 -53.61 -61.39 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.58 HD12 HD11 ' A' ' 11' ' ' ILE . 7.8 tp -51.89 -44.42 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -59.5 -36.23 75.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 t -69.86 -57.52 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.58 HD11 HD12 ' A' ' 8' ' ' LEU . 29.0 pt -60.0 -25.69 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.173 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.85 -104.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.0 mt -155.87 156.95 31.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 72.74 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.729 2.286 . . . . 0.0 112.3 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -124.4 -33.59 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -101.15 -3.63 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.24 -53.21 37.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -50.28 -62.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -41.96 63.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.575 HD22 ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -54.61 -68.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.5 ptp -55.35 -42.83 74.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.81 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -95.92 19.74 11.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.53 -21.84 36.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -77.87 70.43 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.98 -19.83 13.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -115.39 120.53 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.439 HG13 ' SD ' ' A' ' 31' ' ' MET . 21.2 t -50.8 -27.78 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -52.34 -41.57 63.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' O ' HG11 ' A' ' 35' ' ' VAL . . . -54.28 -23.97 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.439 ' SD ' HG13 ' A' ' 28' ' ' VAL . 41.0 mtt . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.494 HG11 ' O ' ' A' ' 30' ' ' ALA . 22.4 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.893 0.378 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.472 ' HG2' HD13 ' A' ' 59' ' ' ILE . 22.0 tpp -51.24 107.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -107.09 169.84 8.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.617 ' HA ' HD23 ' A' ' 41' ' ' LEU . 3.8 p30 -57.59 -44.47 85.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -55.22 -39.27 69.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.88 -59.34 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.779 HD11 ' HG2' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -52.54 -27.75 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.642 HD23 ' NH1' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -85.66 -35.54 20.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB3' HD11 ' A' ' 122' ' ' ILE . 3.7 tt0 -67.04 -31.92 72.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 41' ' ' LEU . 46.5 mt -56.75 -74.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.82 38.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.536 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 mm . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.17 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.779 ' HG2' HD11 ' A' ' 41' ' ' LEU . 14.7 mtp85 -51.61 -60.83 2.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -54.58 -48.23 72.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -51.45 -55.92 16.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.607 ' O ' HD12 ' A' ' 59' ' ' ILE . 58.3 mt -58.09 -44.22 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 56' ' ' LEU . 6.3 mt -58.0 -67.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -50.14 -36.34 29.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -55.75 28.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -59.23 -35.68 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.53 -27.36 60.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 61' ' ' LEU . 3.7 tt -89.58 -16.99 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 59' ' ' ILE . 16.1 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.788 0.327 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -78.77 167.02 21.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.508 HG11 ' CB ' ' A' ' 94' ' ' PHE . 24.1 t -53.46 -39.03 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.96 -65.26 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.56 -45.39 63.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.548 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 12.9 t90 -56.78 -63.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.31 -23.41 48.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.46 -21.65 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -102.67 -14.64 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.461 HD12 ' CB ' ' A' ' 131' ' ' SER . 9.4 mm -88.02 8.49 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.79 13.03 9.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.411 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.4 mm? -109.95 179.13 4.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.72 -52.54 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.443 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -50.83 -37.31 42.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' A' ' 87' ' ' LEU . 26.1 m-85 -53.27 -30.79 40.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.434 HG22 ' CD1' ' A' ' 95' ' ' LEU . 38.1 m -46.73 -34.87 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.637 ' O ' HG23 ' A' ' 96' ' ' ILE . 27.7 ttpt -64.74 -53.36 48.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.16 75.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.508 ' CB ' HG11 ' A' ' 78' ' ' VAL . 20.5 m-85 -57.92 -39.94 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.434 ' CD1' HG22 ' A' ' 91' ' ' THR . 26.1 mt -69.54 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 92' ' ' LYS . 24.6 pt -51.52 -30.44 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.78 -30.13 45.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.22 49.96 1.51 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.666 ' CD1' HD22 ' A' ' 104' ' ' LEU . 20.1 m-85 -101.55 26.23 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.042 0.449 . . . . 0.0 110.987 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -63.04 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 t -51.54 128.36 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.3 tpt -60.72 -56.31 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -49.49 -29.99 7.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.666 HD22 ' CD1' ' A' ' 99' ' ' TYR . 2.3 tt -52.01 -43.3 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 99' ' ' TYR . 49.1 mt -62.79 -27.63 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -96.62 5.2 51.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -103.81 13.56 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.7 pt -125.96 -177.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.66 177.41 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.43 -63.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.809 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.5 p -48.65 -44.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.7 tp10 -54.86 -48.36 73.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.919 HD11 HD12 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -63.67 -37.56 87.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.0 mt -75.08 -19.73 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.28 -16.73 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.538 HG12 HD22 ' A' ' 117' ' ' LEU . 91.6 t -105.01 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.628 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.8 mm? -84.86 -24.08 28.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.994 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 61.69 49.9 4.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.919 HD12 HD11 ' A' ' 113' ' ' LEU . 69.4 mt -88.16 94.25 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -91.02 -35.1 14.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.11 118.54 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.436 HD11 ' HB3' ' A' ' 43' ' ' GLU . 73.4 mt -51.75 -52.21 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.09 -71.5 0.61 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -51.54 -38.13 52.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -61.37 -72.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.68 -42.48 34.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -54.18 -63.66 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.548 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 69.0 mt -59.5 -51.72 69.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.2 tp -50.78 -39.21 51.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.65 -48.13 60.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.035 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.461 ' CB ' HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -55.77 -42.48 75.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.77 -55.69 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.899 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.12 136.58 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 25' ' ' PHE . 97.4 t -49.85 -40.91 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.27 -42.18 97.18 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.61 -53.92 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.721 ' CD1' HD21 ' A' ' 62' ' ' LEU . 56.2 t90 -57.39 -45.75 84.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 11' ' ' ILE . 12.6 tp -63.38 -48.55 77.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.36 -33.9 71.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.0 t -70.37 -53.63 15.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.554 HD11 HD12 ' A' ' 8' ' ' LEU . 32.7 pt -64.85 -24.76 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.14 -103.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 mt -151.86 159.07 33.64 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 80.38 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.266 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -129.02 -38.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.407 ' H ' HD21 ' A' ' 8' ' ' LEU . 2.1 m-85 -90.18 -4.98 56.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -52.3 -46.92 66.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -61.78 -50.88 70.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -60.29 4.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -50.04 -56.09 12.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.8 mtp -51.14 -54.15 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' HD11 ' A' ' 121' ' ' LEU . . . -61.98 -22.35 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.072 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -90.64 13.49 15.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.86 -18.65 52.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.46 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.4 m-85 -81.29 58.35 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -91.35 -21.79 20.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -120.58 125.42 47.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.7 t -51.69 -38.21 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -57.64 -32.58 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.78 -25.95 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.4 mtt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 60' ' ' GLN . 6.0 t . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.55 ' HB2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -75.14 145.27 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -86.67 140.96 29.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -52.06 -41.4 62.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -52.63 -51.36 60.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' HB3' HG21 ' A' ' 122' ' ' ILE . 3.3 m-20 -64.21 -49.97 69.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.824 HD21 ' HA ' ' A' ' 52' ' ' ARG . 11.9 tp -50.0 -50.74 46.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 tp -70.16 -31.82 69.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' HG2' HD11 ' A' ' 122' ' ' ILE . 9.5 tt0 -68.27 -30.77 69.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.464 HD13 HD12 ' A' ' 122' ' ' ILE . 9.8 mm -51.71 -59.97 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.92 -13.71 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.553 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.637 HD13 HD12 ' A' ' 55' ' ' ILE . 18.9 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.199 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.443 ' HB2' HG21 ' A' ' 46' ' ' ILE . 3.2 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.824 ' HA ' HD21 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -49.96 -61.86 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.25 -36.22 81.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -58.83 -62.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.637 HD12 HD13 ' A' ' 46' ' ' ILE . 65.5 mt -57.58 -49.29 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' HG ' HD22 ' A' ' 41' ' ' LEU . 6.9 mt -54.9 -51.48 65.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -56.84 -45.01 82.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.65 -62.83 1.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 36' ' ' MET . 2.5 tt -52.33 -27.8 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.606 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 tt0 -78.13 -39.52 40.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.0 -5.96 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 7' ' ' TRP . 7.6 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.71 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.829 0.347 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -79.94 170.92 15.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.465 HG11 ' CB ' ' A' ' 94' ' ' PHE . 21.8 t -57.76 -36.23 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.15 -69.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -54.34 -32.88 57.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.54 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 13.5 t90 -61.23 -52.17 65.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.83 -24.6 61.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.15 -27.3 61.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -98.32 18.14 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 85' ' ' ILE . 7.8 mt -133.23 7.56 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 69.27 17.98 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.1 mm? -113.63 143.72 44.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.91 -46.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -51.43 -36.91 45.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.545 ' CD2' HD12 ' A' ' 87' ' ' LEU . 11.7 m-85 -53.87 -28.91 38.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.3 m -49.25 -34.84 16.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.182 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -65.02 -58.81 5.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.13 78.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.465 ' CB ' HG11 ' A' ' 78' ' ' VAL . 12.9 m-85 -56.13 -43.82 78.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.07 -59.91 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.0 pt -57.69 -28.13 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -74.07 -18.94 60.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.35 40.56 6.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.441 ' CE2' HD21 ' A' ' 117' ' ' LEU . 25.1 m-85 -95.87 25.83 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.88 0.372 . . . . 0.0 110.873 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.5 p -51.23 -35.22 35.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.435 ' HB2' HD12 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -97.95 121.68 40.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.491 ' HG3' HD12 ' A' ' 105' ' ' LEU . 25.9 ttm -56.47 -24.74 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -49.81 -43.4 48.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 101' ' ' SER . 3.8 mp -59.32 -33.33 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.491 HD12 ' HG3' ' A' ' 102' ' ' MET . 34.6 mt -62.9 -20.78 65.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -112.1 16.36 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -130.14 24.97 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.7 pt -133.68 151.91 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -107.29 -178.24 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.3 -56.29 19.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.8 p -50.91 -43.52 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 116' ' ' VAL . 4.4 mp0 -63.01 -40.51 97.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.844 HD11 HD12 ' A' ' 119' ' ' ILE . 34.4 tp -64.1 -41.74 97.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.1 mt -79.82 -19.46 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -91.32 -19.05 23.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 112' ' ' GLU . 82.3 t -109.51 -57.8 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.441 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.5 mm? -85.32 -30.96 23.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.1 mttp 64.64 51.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.844 HD12 HD11 ' A' ' 113' ' ' LEU . 56.6 mt -88.59 92.77 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -85.87 -28.01 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 22' ' ' ALA . 2.6 tp -60.82 124.07 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.464 HD12 HD13 ' A' ' 44' ' ' ILE . 52.2 mt -58.02 -51.9 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -49.96 -70.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -50.03 -40.25 44.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.759 ' HD3' HD12 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -59.04 -66.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -53.64 -46.48 70.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -49.87 -63.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.54 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 64.1 mt -58.31 -46.57 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.759 HD12 ' HD3' ' A' ' 125' ' ' ARG . 7.6 mt -51.74 -43.86 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.18 -32.38 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.64 -41.93 99.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.09 -41.39 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.523 HE21 HG11 ' A' ' 28' ' ' VAL . 3.6 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -112.96 133.06 55.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.4 t -54.33 -32.51 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.39 -57.96 13.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -44.33 94.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.453 ' CE2' HD13 ' A' ' 11' ' ' ILE . 73.8 t90 -62.68 -55.79 23.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.426 ' CD2' HD13 ' A' ' 20' ' ' LEU . 18.9 tp -58.26 -30.94 66.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -79.67 -28.31 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -80.7 -27.14 37.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.453 HD13 ' CE2' ' A' ' 7' ' ' TRP . 23.2 pt -97.26 -31.08 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.97 -109.93 0.97 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -152.87 159.63 32.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.554 0.692 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.9 19.68 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.746 2.297 . . . . 0.0 112.325 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -63.12 -16.1 58.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -113.96 -8.94 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -51.59 -58.15 7.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -51.4 -40.33 59.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -58.0 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -50.76 -60.8 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -52.5 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -24.47 65.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -93.08 18.14 9.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.85 -21.58 35.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.38 72.9 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.53 -23.1 11.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -122.62 125.01 44.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.523 HG11 HE21 ' A' ' 2' ' ' GLN . 21.4 t -57.98 -27.34 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -58.4 -26.82 63.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.13 -25.37 45.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.521 ' CB ' HD11 ' A' ' 59' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.86 0.362 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ttm -51.87 103.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -88.33 -179.42 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -55.72 -40.63 72.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -51.85 -60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.44 -43.86 93.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 41' ' ' LEU . 8.9 tp -50.63 -44.43 57.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 tp -78.75 -29.55 45.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HB3' HD11 ' A' ' 122' ' ' ILE . 2.0 mt-10 -62.98 -37.14 85.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.0 mm -61.5 -73.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.04 46.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.776 0.322 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -52.65 48.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -64.92 -31.74 73.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -61.52 -61.65 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 59' ' ' ILE . 62.6 mt -62.29 -44.58 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.03 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.4 mt -53.8 -65.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.448 ' HG2' HD12 ' A' ' 61' ' ' LEU . 33.0 tt0 -56.29 -37.45 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.34 -71.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.831 HD12 HD12 ' A' ' 62' ' ' LEU . 3.0 tp -53.21 -27.99 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -74.71 -33.8 62.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.448 HD12 ' HG2' ' A' ' 57' ' ' GLN . 86.6 mt -91.01 -11.48 38.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.831 HD12 HD12 ' A' ' 59' ' ' ILE . 6.8 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.819 0.342 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -112.37 178.97 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 99' ' ' TYR . 25.5 t -53.53 -36.39 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.74 -69.95 0.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -51.66 -34.01 36.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.587 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 13.6 t90 -63.63 -59.3 4.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.68 -34.06 73.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -52.98 -44.35 67.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -64.95 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.426 HD11 ' OG ' ' A' ' 131' ' ' SER . 6.1 mt -95.5 30.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 51.45 30.48 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.497 HD13 ' CD2' ' A' ' 90' ' ' TYR . 66.3 mt -130.33 128.88 42.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.32 -46.11 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.542 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.82 -39.04 65.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.497 ' CD2' HD13 ' A' ' 87' ' ' LEU . 3.8 m-85 -50.57 -31.25 15.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.414 HG22 HD12 ' A' ' 95' ' ' LEU . 29.1 m -50.35 -41.04 50.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.185 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -51.11 71.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.06 78.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -55.47 -46.67 76.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.414 HD12 HG22 ' A' ' 91' ' ' THR . 0.2 OUTLIER -59.28 -59.75 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.0 pt -57.7 -25.13 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -81.34 -17.7 48.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.23 37.5 5.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.533 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.622 ' CZ ' HD21 ' A' ' 117' ' ' LEU . 37.5 m-85 -96.09 34.53 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.96 0.41 . . . . 0.0 110.94 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.48 -67.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.158 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.95 159.11 9.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.457 ' HG3' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -99.21 -37.13 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -57.38 -34.95 69.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.661 HD12 ' N ' ' A' ' 105' ' ' LEU . 3.7 pp -60.02 -24.83 64.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.661 ' N ' HD12 ' A' ' 104' ' ' LEU . 87.3 mt -61.4 -18.0 56.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -101.19 20.57 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -28.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.4 pt -81.48 152.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -108.67 178.91 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -62.49 1.6 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.5 p -50.52 -45.47 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.5 mm-40 -55.28 -43.79 75.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.924 HD12 HD23 ' A' ' 117' ' ' LEU . 13.6 tp -67.94 -36.3 79.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.5 mt -77.41 -17.79 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.84 -19.45 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 112' ' ' GLU . 92.2 t -103.62 -56.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.924 HD23 HD12 ' A' ' 113' ' ' LEU . 3.4 mm? -84.26 -19.24 34.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 63.94 33.79 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.82 HD12 HD11 ' A' ' 113' ' ' LEU . 83.6 mt -82.18 93.08 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -98.18 -29.78 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.539 HD23 ' CD2' ' A' ' 124' ' ' HIS . 10.1 tp -51.97 129.5 27.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 43' ' ' GLU . 9.4 mm -59.22 -55.15 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.08 -58.45 8.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.539 ' CD2' HD23 ' A' ' 121' ' ' LEU . 31.7 m170 -59.59 -45.96 90.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.31 . . . . 0.0 110.819 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.54 -67.63 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.37 -42.75 61.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -51.66 -61.74 2.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.587 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 60.4 mt -61.77 -44.38 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 tt -51.69 -40.99 61.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.45 -33.18 42.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.111 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.426 ' OG ' HD11 ' A' ' 85' ' ' ILE . 36.2 t -65.07 -31.5 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.08 -41.27 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 179.824 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.842 0.353 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.71 123.76 48.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 89.8 t -52.52 -38.83 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.36 -38.34 93.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -68.15 -48.18 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.403 ' O ' HG23 ' A' ' 11' ' ' ILE . 62.9 t90 -63.88 -46.6 84.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.422 HD12 HD11 ' A' ' 11' ' ' ILE . 11.9 tp -63.25 -41.83 99.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -66.56 -40.13 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -64.81 -47.17 79.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.422 HD11 HD12 ' A' ' 8' ' ' LEU . 25.5 pt -72.86 -26.81 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.21 -104.24 0.22 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.5 mt -155.12 156.44 31.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 79.19 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.383 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -125.53 -37.95 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -99.4 19.12 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.2 -59.18 4.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -54.21 -46.3 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -57.15 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.51 -59.48 4.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -53.71 26.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -23.36 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.043 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.506 ' HA ' HD11 ' A' ' 121' ' ' LEU . 2.7 m-80 -91.67 14.53 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 -21.07 43.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -78.29 67.37 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.93 -23.35 16.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -128.18 122.18 31.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.6 t -52.09 -29.12 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -57.01 -25.32 58.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.24 -29.99 59.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ptp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.763 0.316 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.667 ' O ' HG21 ' A' ' 59' ' ' ILE . 5.9 ttm -57.47 156.23 8.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -129.85 165.83 21.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -54.47 -40.01 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -51.92 -59.17 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.633 ' HB3' HG21 ' A' ' 122' ' ' ILE . 6.3 m-20 -61.52 -43.07 99.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.813 HD21 ' HA ' ' A' ' 52' ' ' ARG . 9.0 tp -50.75 -44.01 58.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.7 tp -85.86 -21.3 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.78 -33.25 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.2 mt -66.24 -74.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.056 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.537 ' H ' HD12 ' A' ' 46' ' ' ILE . . . 170.16 57.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.537 HD12 ' H ' ' A' ' 45' ' ' GLY . 5.3 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.1 t60 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.813 ' HA ' HD21 ' A' ' 41' ' ' LEU . 27.9 mtp180 -51.7 -58.73 5.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -55.91 -40.97 73.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -56.6 -68.75 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.0 mt -51.18 -46.7 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.1 mt -54.04 -56.98 12.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.59 -38.98 67.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.36 -49.02 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.667 HG21 ' O ' ' A' ' 36' ' ' MET . 29.3 mm -58.08 -39.14 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -79.14 -27.16 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.19 -20.49 41.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.68 0.753 . . . . 0.0 110.936 179.861 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.722 0.296 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -99.52 170.25 8.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.601 HG11 ' HB3' ' A' ' 94' ' ' PHE . 100.0 t -51.47 -36.16 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.02 -58.19 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -51.68 -33.89 36.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.539 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 2.3 t90 -72.82 -58.89 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.483 HD22 ' HB2' ' A' ' 87' ' ' LEU . 15.4 mt -57.97 -20.17 36.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.53 -31.28 45.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 t -90.07 -17.2 28.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.6 mm -92.34 18.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 40.84 38.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.674 HD22 ' CD2' ' A' ' 90' ' ' TYR . 17.3 mt -129.05 45.15 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.71 62.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -52.04 -45.31 64.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.674 ' CD2' HD22 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -53.86 -30.78 47.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -48.71 -34.46 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.465 ' O ' HG23 ' A' ' 96' ' ' ILE . 3.9 tppp? -64.42 -54.25 35.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.46 83.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.601 ' HB3' HG11 ' A' ' 78' ' ' VAL . 12.5 m-85 -56.11 -46.04 79.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.13 -62.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 92' ' ' LYS . 22.4 pt -53.33 -30.5 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -69.24 -32.62 71.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.79 11.32 7.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.683 ' CD1' HD23 ' A' ' 105' ' ' LEU . 95.0 m-85 -83.95 98.03 9.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.001 0.429 . . . . 0.0 110.899 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.89 -58.25 2.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.8 m -105.0 147.91 27.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -33.31 32.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -41.72 60.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 104' ' ' LEU . 12.2 mt -60.18 -31.53 70.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.683 HD23 ' CD1' ' A' ' 99' ' ' TYR . 22.4 mt -65.09 -19.17 65.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.951 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -95.43 -1.84 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -98.87 23.63 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.3 pt -136.75 153.12 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.422 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . . . -98.51 179.22 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -51.03 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.8 p -51.68 -43.25 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.422 ' HG3' ' HB3' ' A' ' 109' ' ' ALA . 46.5 mt-10 -55.2 -39.61 69.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 117' ' ' LEU . 6.0 tp -75.46 -53.3 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.955 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.41 -17.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -97.27 -56.21 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.57 -55.94 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.663 ' HB2' HD12 ' A' ' 113' ' ' LEU . 4.1 mm? -77.26 -16.93 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.8 mttm 53.52 44.84 29.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.656 HG23 ' OH ' ' A' ' 90' ' ' TYR . 33.4 mt -81.23 -70.32 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.7 t30 57.28 34.81 25.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.573 HD23 ' CD2' ' A' ' 124' ' ' HIS . 11.5 tp -128.99 134.42 48.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.633 HG21 ' HB3' ' A' ' 40' ' ' ASP . 44.9 mt -68.03 -50.88 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -54.12 -47.74 66.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.573 ' CD2' HD23 ' A' ' 121' ' ' LEU . 42.6 m170 -68.16 -59.93 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.64 ' HD3' HD12 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -51.96 -27.84 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.6 tptt -75.08 -61.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -54.74 -34.72 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.539 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 75.8 mt -73.77 -52.98 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.64 HD12 ' HD3' ' A' ' 125' ' ' ARG . 28.3 mt -60.12 -34.78 73.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.26 -51.04 19.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -56.49 -42.52 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.403 HD11 HD13 ' A' ' 105' ' ' LEU . 39.4 mt -75.15 -42.76 55.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.556 ' HB3' HG11 ' A' ' 28' ' ' VAL . 4.9 tp60 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.901 0.381 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.33 147.38 47.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 t -59.13 -47.02 91.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.04 -52.58 50.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -62.83 -54.66 35.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -55.43 -61.18 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.481 HD12 HD11 ' A' ' 11' ' ' ILE . 9.4 tp -51.23 -41.32 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.85 -33.97 77.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -73.37 -52.47 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.775 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.593 HG21 ' HB1' ' A' ' 58' ' ' ALA . 47.9 pt -68.03 -24.79 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.56 -113.4 0.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.92 160.4 31.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 89.18 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -142.44 -42.38 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.563 ' CE2' HG23 ' A' ' 46' ' ' ILE . 61.7 m-85 -92.94 11.96 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -62.61 -45.87 90.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -59.02 -50.51 73.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -56.0 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.11 -63.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 ttt -51.86 -49.64 62.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.28 -25.82 64.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.647 ' CG ' HG23 ' A' ' 44' ' ' ILE . 4.8 m-80 -93.17 20.06 7.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.99 -14.99 55.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -81.15 54.11 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -81.98 -26.49 33.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.49 112.18 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 2' ' ' GLN . 7.2 p -51.42 -32.72 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -56.01 -23.21 31.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.73 -29.99 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG13 HG13 ' A' ' 59' ' ' ILE . 20.9 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.72 123.51 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -111.88 -176.41 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -61.92 -35.89 79.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -52.42 -62.12 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.97 -41.32 95.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.746 HD21 ' HG3' ' A' ' 52' ' ' ARG . 13.4 tp -49.74 -43.81 48.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.36 -24.56 24.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -65.08 -32.76 74.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.647 HG23 ' CG ' ' A' ' 23' ' ' ASN . 84.7 mt -67.58 -74.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.74 38.26 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.731 HD12 HD12 ' A' ' 41' ' ' LEU . 69.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.1 t60 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.779 0.323 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 41' ' ' LEU . 8.3 ttp85 -50.84 -59.19 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -61.33 -30.93 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -60.09 -64.48 0.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.02 -38.06 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.41 -66.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.39 -39.92 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.593 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -63.05 -65.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.655 HD12 ' CD1' ' A' ' 62' ' ' LEU . 3.9 tp -57.34 -20.97 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -87.28 -26.18 23.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -97.91 -8.38 28.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.655 ' CD1' HD12 ' A' ' 59' ' ' ILE . 16.6 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.774 0.321 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 t -135.89 176.19 8.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.669 HG11 ' CB ' ' A' ' 94' ' ' PHE . 32.7 t -53.86 -35.9 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -64.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -51.77 -31.14 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.591 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 7.6 t90 -72.35 -61.03 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' A' ' 87' ' ' LEU . 13.5 mt -57.23 -22.2 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.74 -24.74 51.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 m -92.47 -15.83 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.452 HG23 ' HG2' ' A' ' 127' ' ' ARG . 5.3 mm -92.97 18.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 58.1 22.31 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.617 HD22 ' CD2' ' A' ' 90' ' ' TYR . 17.9 mt -123.9 143.1 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.1 -48.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -56.02 -32.45 64.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.617 ' CD2' HD22 ' A' ' 87' ' ' LEU . 1.3 m-85 -54.05 -30.09 46.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.7 m -49.98 -34.37 20.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -62.72 -53.06 60.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.99 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.669 ' CB ' HG11 ' A' ' 78' ' ' VAL . 13.6 m-85 -56.96 -44.55 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.26 -61.4 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.7 pt -54.84 -29.99 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -71.02 -27.21 63.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.69 33.6 4.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CD1' HD22 ' A' ' 104' ' ' LEU . 46.1 m-85 -95.52 35.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.988 0.423 . . . . 0.0 110.934 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 36.1 p -63.68 -29.3 70.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -88.5 141.21 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 tpt -69.27 -56.89 6.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.01 -30.17 14.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.677 HD22 ' CD1' ' A' ' 99' ' ' TYR . 2.2 tt -53.63 -40.78 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.592 HD23 ' CD1' ' A' ' 99' ' ' TYR . 71.6 mt -62.78 -25.23 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -97.05 14.34 25.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -119.88 27.34 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 113' ' ' LEU . 13.9 pt -135.14 150.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -97.94 173.05 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -50.93 -40.63 57.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 112' ' ' GLU . 7.3 p -70.63 -43.68 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 111' ' ' VAL . 77.9 mm-40 -57.0 -39.28 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.701 HD12 ' HB2' ' A' ' 117' ' ' LEU . 4.1 tp -75.0 -54.37 7.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.52 HG23 ' H ' ' A' ' 120' ' ' ASN . 40.3 mt -59.37 -20.08 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -94.11 -56.1 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.81 -58.65 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.701 ' HB2' HD12 ' A' ' 113' ' ' LEU . 4.0 mm? -73.11 -16.29 61.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt 52.19 52.34 14.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.675 HD12 HD11 ' A' ' 113' ' ' LEU . 68.7 mt -86.31 -50.65 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.52 ' H ' HG23 ' A' ' 114' ' ' ILE . 9.9 p30 41.97 39.42 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.453 ' H ' HG22 ' A' ' 119' ' ' ILE . 7.7 tp -132.35 118.12 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 65.3 mt -50.71 -50.47 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.36 -73.09 0.4 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.418 ' CE1' HD23 ' A' ' 121' ' ' LEU . 24.7 m170 -51.46 -45.69 62.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.835 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.522 ' HG2' HD12 ' A' ' 129' ' ' LEU . 1.2 ttt180 -51.41 -60.85 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -52.34 -49.34 64.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.452 ' HG2' HG23 ' A' ' 85' ' ' ILE . 3.9 ttt180 -53.18 -65.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.591 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 54.1 mt -52.58 -54.15 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.522 HD12 ' HG2' ' A' ' 125' ' ' ARG . 16.6 mt -53.17 -30.69 38.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.12 -47.95 39.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 82.1 p -58.75 -48.26 81.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.81 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.57 -42.76 67.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -134.21 143.37 47.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.55 -36.36 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.74 -56.79 23.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -64.59 -49.87 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.622 ' CH2' HD12 ' A' ' 59' ' ' ILE . 57.0 t90 -54.22 -53.16 57.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.723 HD21 ' HB2' ' A' ' 16' ' ' TYR . 12.5 tp -65.77 -31.31 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -72.42 -26.71 61.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -82.63 -50.46 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.65 HG21 ' HB1' ' A' ' 58' ' ' ALA . 24.6 pt -73.04 -30.05 30.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.95 -119.43 1.01 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mt -139.39 159.04 67.54 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.679 0.752 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.13 25.35 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -53.86 -27.93 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.723 ' HB2' HD21 ' A' ' 8' ' ' LEU . 19.9 m-85 -97.86 -16.07 19.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -51.73 -49.08 63.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -53.27 -47.36 69.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -62.09 -53.74 51.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -50.82 -63.44 1.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.1 ttm -50.71 -51.62 48.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.45 -25.65 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.058 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.557 ' HA ' HD11 ' A' ' 121' ' ' LEU . 2.0 m120 -93.91 20.36 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 -20.41 37.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.44 ' HB3' HD23 ' A' ' 20' ' ' LEU . 3.5 m-85 -78.4 69.4 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.8 -22.31 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -114.39 130.2 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.2 t -57.35 -31.98 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -54.79 -25.88 30.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.82 -27.12 27.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.521 ' CB ' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.877 0.37 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.448 ' HB3' HG21 ' A' ' 59' ' ' ILE . 24.2 ttm -51.88 121.65 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -88.56 174.99 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.59 -36.17 73.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -54.29 -59.22 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' HB3' HG21 ' A' ' 122' ' ' ILE . 2.4 m-20 -63.27 -51.13 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.763 HD21 ' HA ' ' A' ' 52' ' ' ARG . 18.8 tp -49.65 -40.21 38.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.2 tp -82.81 -25.35 32.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -73.28 -32.72 64.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.658 HD13 HD12 ' A' ' 122' ' ' ILE . 18.4 mm -52.17 -71.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.23 -32.01 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.451 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.8 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.748 0.309 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.763 ' HA ' HD21 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -51.72 -62.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.43 -41.35 63.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -55.48 -67.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' ' 59' ' ' ILE . 61.2 mt -57.87 -28.14 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.5 -72.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -57.24 -29.4 63.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.65 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -69.94 -45.12 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.622 HD12 ' CH2' ' A' ' 7' ' ' TRP . 3.0 tt -85.78 -8.13 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -96.48 -29.93 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.33 -38.07 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 58' ' ' ALA . 3.9 mm? . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.561 0.695 . . . . 0.0 110.927 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.826 0.346 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -64.36 157.41 26.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.598 HG11 ' CB ' ' A' ' 94' ' ' PHE . 38.7 t -51.51 -43.5 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.42 -62.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -51.33 -33.5 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.564 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 6.6 t90 -68.79 -62.14 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.2 mt -57.76 -22.53 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.78 -17.76 57.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.8 p -106.3 -13.59 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 85' ' ' ILE . 8.4 mm -88.5 10.24 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 66.24 18.88 11.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.41 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.3 mm? -110.33 179.25 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.973 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.49 -54.42 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -49.76 -43.57 48.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.511 ' OH ' HG23 ' A' ' 119' ' ' ILE . 22.2 m-85 -49.97 -31.36 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.4 m -46.86 -42.19 16.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 96' ' ' ILE . 19.5 pttt -64.11 -43.25 95.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 92' ' ' LYS . . . -66.92 -51.4 55.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.598 ' CB ' HG11 ' A' ' 78' ' ' VAL . 22.1 m-85 -56.44 -43.29 79.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.18 -60.04 3.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 92' ' ' LYS . 22.3 pt -57.91 -23.69 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -76.68 -27.13 55.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.06 2.42 22.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' O ' HG21 ' A' ' 78' ' ' VAL . 93.2 m-85 -74.07 97.71 2.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.88 -25.82 9.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -123.99 129.83 51.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.6 ttm -51.85 -33.61 37.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.47 -39.34 33.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.1 mt -58.06 -37.47 74.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.94 -21.67 58.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.0 -29.44 68.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -97.88 24.37 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.27 129.88 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.03 178.35 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -57.15 -68.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.1 p -49.23 -46.38 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 116' ' ' VAL . 5.7 mm-40 -55.96 -40.99 74.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.62 HD12 HD23 ' A' ' 117' ' ' LEU . 21.1 tp -68.97 -36.84 78.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 54.2 mt -78.34 -17.31 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -98.75 -21.44 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 112' ' ' GLU . 90.1 t -103.69 -55.72 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.62 HD23 HD12 ' A' ' 113' ' ' LEU . 3.7 mm? -87.14 -26.86 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? 64.48 44.64 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.511 HG23 ' OH ' ' A' ' 90' ' ' TYR . 7.5 mt -86.65 101.06 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -97.94 -34.78 10.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.685 HD23 ' CD2' ' A' ' 124' ' ' HIS . 12.5 tp -52.48 132.9 35.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.658 HD12 HD13 ' A' ' 44' ' ' ILE . 58.8 mt -69.78 -40.54 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.11 -46.42 93.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.685 ' CD2' HD23 ' A' ' 121' ' ' LEU . 38.9 m170 -69.66 -50.79 40.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -30.96 69.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -73.54 -56.21 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -53.46 -44.02 68.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.564 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 87.4 mt -68.5 -54.95 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.493 ' C ' HD13 ' A' ' 129' ' ' LEU . 3.4 tm? -53.29 -41.21 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.67 -52.27 46.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.68 -44.04 62.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.3 mt -69.86 -53.85 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.877 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.861 0.362 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.52 130.38 40.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.5 t -51.05 -39.69 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.61 -46.31 94.01 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.57 -54.98 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -56.12 -48.51 76.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.588 HD12 HD11 ' A' ' 11' ' ' ILE . 15.7 tp -62.08 -36.25 81.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.11 -30.85 67.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -74.75 -43.25 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.588 HD11 HD12 ' A' ' 8' ' ' LEU . 24.9 pt -77.88 -31.01 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.717 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -152.75 -125.45 1.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.717 HD22 ' C ' ' A' ' 12' ' ' GLY . 3.7 mm? -133.31 156.11 80.15 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 68.96 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -120.77 -15.62 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -122.08 0.09 9.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -51.8 -54.74 25.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -55.74 -49.97 71.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -52.69 61.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -57.37 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.2 mtt -54.76 -54.42 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.77 -23.68 60.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.552 ' HA ' HD11 ' A' ' 121' ' ' LEU . 2.5 m120 -90.2 13.55 14.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.82 -22.38 39.64 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.455 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -80.72 65.26 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -97.87 -20.71 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -118.52 120.31 37.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.469 HG13 ' SD ' ' A' ' 31' ' ' MET . 24.6 t -51.08 -33.26 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -51.54 -30.23 19.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.75 -25.68 19.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.469 ' SD ' HG13 ' A' ' 28' ' ' VAL . 16.8 mtt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.76 0.314 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.2 mtp -52.6 121.49 7.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -97.03 176.28 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.469 ' HB2' HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -63.71 -33.25 75.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -58.34 -62.19 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -62.36 -42.07 99.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.605 ' HA ' HD12 ' A' ' 44' ' ' ILE . 21.2 tp -57.69 -45.05 86.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 tp -79.57 -21.35 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -75.91 -35.84 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.6 mt -58.95 -71.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.7 35.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.9 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttp-105 -50.59 -58.04 6.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.62 -45.12 85.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -57.79 -64.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.491 ' HB ' HD21 ' A' ' 41' ' ' LEU . 79.9 mt -51.64 -35.05 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 38' ' ' ASP . 8.6 mt -66.98 -52.29 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -60.62 -39.63 88.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.27 -58.9 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -59.15 -27.2 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -77.92 -37.4 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -88.86 -8.51 54.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 59' ' ' ILE . 6.9 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 110.975 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.816 0.341 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.4 m -153.27 167.39 29.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.59 HG11 ' CB ' ' A' ' 94' ' ' PHE . 40.9 t -51.82 -37.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.14 -58.08 7.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -68.78 -12.38 61.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -84.29 -42.27 15.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.5 mt -88.2 -44.55 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -59.54 -21.06 59.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 t -94.64 8.62 41.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.486 HG21 ' HG3' ' A' ' 127' ' ' ARG . 86.5 mt -113.81 -71.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -150.36 -65.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.496 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -117.4 125.64 51.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.58 -4.41 58.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -54.98 -40.49 70.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.468 ' CE2' HD11 ' A' ' 87' ' ' LEU . 3.9 m-85 -53.38 -27.83 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.5 m -46.64 -34.42 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -62.03 -54.59 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.5 89.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CB ' HG11 ' A' ' 78' ' ' VAL . 17.1 m-85 -55.92 -48.01 76.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.81 -63.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.3 pt -52.11 -29.08 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -71.28 -34.41 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.99 0.16 7.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.669 ' CD1' HD23 ' A' ' 105' ' ' LEU . 93.3 m-85 -74.05 97.83 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.2 p -114.05 -26.82 7.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.189 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 m -107.27 138.62 43.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.587 ' SD ' HD12 ' A' ' 105' ' ' LEU . 10.0 tpp -59.58 -54.27 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -50.72 -33.15 21.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 104' ' ' LEU . 1.5 tt -55.99 -39.43 71.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.669 HD23 ' CD1' ' A' ' 99' ' ' TYR . 12.0 mt -62.09 -24.06 66.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -83.92 -13.91 52.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -80.96 -29.02 35.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.458 HG21 ' OH ' ' A' ' 99' ' ' TYR . 12.3 pt -81.74 156.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -106.77 179.27 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.426 ' HG2' HD11 ' A' ' 114' ' ' ILE . 4.3 tt0 -53.29 -65.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.437 ' HA ' HD12 ' A' ' 114' ' ' ILE . 4.1 p -50.45 -42.83 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 116' ' ' VAL . 14.8 mm-40 -53.33 -53.58 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.702 HD13 HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -67.81 -26.61 66.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 111' ' ' VAL . 42.1 mt -76.47 -24.1 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -101.2 -18.34 16.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 112' ' ' GLU . 72.4 t -96.8 -54.16 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.438 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.6 mm? -86.86 -14.25 42.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp 59.93 43.81 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.702 HD12 HD13 ' A' ' 113' ' ' LEU . 18.3 mt -93.17 109.42 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.37 -28.91 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.682 HD23 ' CD2' ' A' ' 124' ' ' HIS . 14.6 tp -51.19 139.48 18.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 14.3 mm -61.6 -66.99 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -44.48 -61.42 3.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.682 ' CD2' HD23 ' A' ' 121' ' ' LEU . 26.7 m170 -50.52 -54.96 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -51.15 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -52.32 -36.39 53.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.486 ' HG3' HG21 ' A' ' 85' ' ' ILE . 1.9 tpt180 -58.33 -63.18 1.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.497 HD12 HD13 ' A' ' 119' ' ' ILE . 22.6 mt -63.74 -50.31 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 tp -49.93 -48.18 51.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.35 63.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.5 t -64.43 -40.98 96.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.1 mt -87.12 -55.24 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 179.865 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -127.53 132.08 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -51.04 -45.58 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.59 -42.1 83.52 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.417 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -67.89 -52.74 32.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.659 ' NE1' HD11 ' A' ' 62' ' ' LEU . 41.0 t90 -57.69 -53.4 58.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.7 -48.91 78.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -56.66 -38.34 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.7 t -65.99 -56.68 10.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.44 HG21 ' HB1' ' A' ' 58' ' ' ALA . 38.1 pt -61.67 -24.22 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.623 ' C ' HD23 ' A' ' 13' ' ' LEU . . . -154.34 -101.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.552 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.623 HD23 ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -159.01 160.07 29.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 83.53 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -137.52 -47.52 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.749 ' CE1' HG23 ' A' ' 46' ' ' ILE . 18.0 m-85 -84.7 -9.21 58.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -51.93 -41.19 61.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -59.44 -59.35 5.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -53.25 41.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.81 -63.24 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt -50.08 -55.54 14.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.26 -25.23 47.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.41 21.02 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.88 -24.23 19.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.14 73.58 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -109.58 -20.69 12.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -118.46 130.83 56.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.39 -33.48 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.49 -26.16 41.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.48 50.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.053 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.828 0.346 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.48 ' HB2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -51.99 167.49 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -152.14 171.3 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -59.08 -36.63 75.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -50.15 -59.77 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.21 -37.31 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.808 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.581 HD13 HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -50.85 -44.07 59.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.1 tp -86.12 -32.87 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' HG2' HD11 ' A' ' 122' ' ' ILE . 24.1 tt0 -63.44 -25.88 68.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.801 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.1 mt -81.06 -74.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.48 88.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.749 HG23 ' CE1' ' A' ' 16' ' ' TYR . 68.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.16 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.548 ' HB3' HG21 ' A' ' 46' ' ' ILE . 2.6 t60 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.547 ' HG2' HD12 ' A' ' 41' ' ' LEU . 2.2 mtm105 -54.79 -47.95 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -61.44 -49.39 77.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -53.09 -63.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.461 ' HB ' HD21 ' A' ' 41' ' ' LEU . 61.6 mt -54.14 -39.83 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mt -56.71 -67.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.26 -32.56 56.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.44 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -66.15 -68.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -53.64 -28.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -79.11 -33.23 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.6 mt -83.11 -19.49 36.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.659 HD11 ' NE1' ' A' ' 7' ' ' TRP . 24.9 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.964 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.771 0.319 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -160.17 134.29 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.796 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.718 HG11 ' CB ' ' A' ' 94' ' ' PHE . 61.1 t -51.6 -49.94 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.947 ' HB2' HG21 ' A' ' 91' ' ' THR . . . -62.77 -39.58 94.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.96 -24.92 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.453 ' CH2' HD11 ' A' ' 132' ' ' LEU . 1.6 t90 -87.07 -41.76 13.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.679 HD12 HG12 ' A' ' 78' ' ' VAL . 16.2 mt -75.71 -29.33 58.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.22 -48.61 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.3 t -62.95 -16.97 61.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.436 HG22 ' HD3' ' A' ' 127' ' ' ARG . 5.2 mt -103.2 29.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 51.15 30.2 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 90' ' ' TYR . 33.3 mt -127.55 128.01 44.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.26 -45.7 0.13 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -50.16 -43.85 52.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.79 0.328 . . . . 0.0 110.821 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.418 ' CD2' HD13 ' A' ' 87' ' ' LEU . 7.0 m-85 -49.24 -35.96 18.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.947 HG21 ' HB2' ' A' ' 79' ' ' ALA . 30.1 m -46.47 -41.8 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -58.16 -48.96 78.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 96' ' ' ILE . . . -66.08 -47.27 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.718 ' CB ' HG11 ' A' ' 78' ' ' VAL . 14.9 m-85 -56.5 -42.17 77.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.47 HD13 HG22 ' A' ' 91' ' ' THR . 0.1 OUTLIER -68.4 -62.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 92' ' ' LYS . 25.4 pt -49.55 -30.08 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -78.18 -33.86 49.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.11 50.0 0.74 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.593 ' OH ' HG11 ' A' ' 116' ' ' VAL . 45.0 m-85 -112.59 22.59 14.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.976 0.417 . . . . 0.0 110.927 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 p -49.39 -54.79 15.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.218 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.85 162.36 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 85.2 mmm -103.43 -44.11 5.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -43.95 -52.38 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 105' ' ' LEU . 3.1 pp -61.41 -34.36 75.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.672 HD11 HG22 ' A' ' 78' ' ' VAL . 12.3 mt -67.18 -11.45 57.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -109.96 3.29 20.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.08 12.83 12.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.477 HG21 HD23 ' A' ' 113' ' ' LEU . 4.7 tt -90.81 165.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -117.79 161.32 19.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -50.55 -60.6 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.28 -40.31 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.9 mt-10 -60.9 -42.03 97.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.806 HD12 HD12 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -66.59 -43.82 83.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 44.0 mt -76.06 -16.93 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -95.64 -21.13 18.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.593 HG11 ' OH ' ' A' ' 99' ' ' TYR . 71.0 t -102.15 -59.24 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.47 ' HB2' HD13 ' A' ' 113' ' ' LEU . 4.3 mm? -77.65 -17.14 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 63.89 37.98 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.806 HD12 HD12 ' A' ' 113' ' ' LEU . 55.5 mt -81.87 101.08 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -84.08 -29.42 26.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.481 HD23 ' CD2' ' A' ' 124' ' ' HIS . 5.8 tp -63.34 116.8 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.432 HD11 ' HG2' ' A' ' 43' ' ' GLU . 83.1 mt -62.36 -36.0 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.26 -46.08 94.67 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.481 ' CD2' HD23 ' A' ' 121' ' ' LEU . 50.3 m170 -69.75 -56.33 7.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -36.5 61.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -71.31 -47.65 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.436 ' HD3' HG22 ' A' ' 85' ' ' ILE . 4.8 mtp180 -53.83 -50.25 66.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.6 pt -69.62 -38.87 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.69 -49.95 75.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.98 -32.47 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.9 t -65.65 -48.37 72.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.453 HD11 ' CH2' ' A' ' 81' ' ' TRP . 23.3 mt -73.01 -46.71 50.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.492 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.531 ' HB3' HG21 ' A' ' 28' ' ' VAL . 2.5 mp0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.894 0.378 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.605 HG22 ' H ' ' A' ' 5' ' ' GLY . 44.1 m -141.62 127.72 19.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 74.7 t -51.1 -34.65 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.605 ' H ' HG22 ' A' ' 3' ' ' THR . . . -60.29 -57.37 19.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -60.99 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -57.82 -60.67 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 16' ' ' TYR . 3.6 tp -56.04 -32.16 63.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.76 -31.91 65.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t -75.44 -39.63 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 pt -85.53 -20.61 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.694 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -157.24 -126.53 0.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.694 HD22 ' C ' ' A' ' 12' ' ' GLY . 3.8 mm? -130.94 157.18 78.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -5.69 16.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.748 2.299 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -27.47 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.647 ' CE1' HG23 ' A' ' 46' ' ' ILE . 61.1 m-85 -107.2 -13.78 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HA ' HD22 ' A' ' 8' ' ' LEU . 2.2 tm-20 -50.93 -59.11 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -51.08 -41.91 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -59.89 -57.18 13.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mp -51.5 -57.5 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.6 mtp -50.49 -60.32 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -19.24 49.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -92.7 17.53 10.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.16 -24.31 22.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.05 63.72 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -95.93 -27.14 15.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -105.32 122.44 45.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 2' ' ' GLN . 22.5 t -52.71 -24.01 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -53.79 -39.15 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.52 -19.94 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.419 ' HE2' ' HA ' ' A' ' 28' ' ' VAL . 50.6 mtm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.425 HG22 ' HD3' ' A' ' 126' ' ' LYS . 7.2 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.18 159.6 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -168.61 176.17 5.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.666 ' HA ' HD23 ' A' ' 41' ' ' LEU . 1.5 t70 -58.82 -38.14 77.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.39 -46.69 73.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.58 -57.09 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.79 HD11 ' HG3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -51.31 -28.22 11.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.5 tp -85.88 -38.88 17.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.474 ' HB3' HD11 ' A' ' 122' ' ' ILE . 4.8 tt0 -65.92 -25.08 66.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 41' ' ' LEU . 80.6 mt -67.07 -76.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.38 36.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.647 HG23 ' CE1' ' A' ' 16' ' ' TYR . 1.8 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.772 0.32 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.79 ' HG3' HD11 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -50.84 -60.05 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -59.02 -36.67 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -57.17 -60.63 3.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -59.18 -53.9 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mt -52.31 -64.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -49.99 -39.1 39.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.44 -53.6 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.482 ' HA ' HD12 ' A' ' 62' ' ' LEU . 61.6 mt -58.58 -39.57 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -23.73 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.3 tp -87.93 -18.89 28.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 59' ' ' ILE . 20.7 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 84.2 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.828 0.347 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.0 m -134.41 160.36 38.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.718 HG11 ' CB ' ' A' ' 94' ' ' PHE . 42.1 t -50.72 -33.01 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.98 -56.2 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -71.91 -12.1 61.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -88.08 -37.65 16.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.586 HD12 HG12 ' A' ' 78' ' ' VAL . 4.8 mt -90.45 -30.9 17.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -79.56 -4.51 51.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.3 t -116.4 11.17 14.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.2 mt -113.2 -64.7 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -156.02 -51.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.685 HD11 ' CD2' ' A' ' 90' ' ' TYR . 2.0 pt? -131.94 133.99 45.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.39 -8.35 41.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.34 -42.98 70.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.685 ' CD2' HD11 ' A' ' 87' ' ' LEU . 1.5 m-85 -52.94 -27.88 20.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.447 HG22 HD12 ' A' ' 95' ' ' LEU . 87.6 m -45.91 -35.19 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -61.02 -54.8 40.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.81 87.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.718 ' CB ' HG11 ' A' ' 78' ' ' VAL . 19.2 m-85 -55.34 -47.65 75.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.447 HD12 HG22 ' A' ' 91' ' ' THR . 9.6 mt -61.7 -62.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.1 pt -53.81 -26.4 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -73.93 -32.69 63.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.58 13.88 5.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.678 ' OH ' HD13 ' A' ' 108' ' ' ILE . 84.5 m-85 -88.02 95.65 10.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 110.897 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.68 -31.8 6.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -99.61 168.96 9.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.1 mmt -83.86 -53.54 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -49.57 -33.89 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.01 -41.3 71.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.611 HD23 ' CD1' ' A' ' 99' ' ' TYR . 21.8 mt -64.49 -22.9 67.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -95.4 4.53 53.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -98.13 -24.53 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.678 HD13 ' OH ' ' A' ' 99' ' ' TYR . 39.2 pt -86.88 152.87 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -104.06 -177.66 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -52.05 -64.38 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.3 p -50.36 -41.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 116' ' ' VAL . 18.4 mm-40 -59.36 -40.87 87.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.641 HD21 ' HB ' ' A' ' 119' ' ' ILE . 2.3 tt -69.5 -39.28 77.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 39.3 mt -77.44 -17.33 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.93 -21.94 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 112' ' ' GLU . 89.1 t -104.56 -56.97 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.486 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.4 mm? -84.53 -25.12 28.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt 58.98 47.93 11.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.641 ' HB ' HD21 ' A' ' 113' ' ' LEU . 13.4 mt -94.37 102.39 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -97.44 -36.71 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.5 tp -51.01 129.18 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.474 HD11 ' HB3' ' A' ' 43' ' ' GLU . 44.7 mt -62.73 -47.86 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.37 -63.62 4.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -57.85 -53.7 55.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -66.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.425 ' HD3' HG22 ' A' ' 35' ' ' VAL . 22.2 ttmm -52.47 -41.47 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -64.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.511 HD11 HD11 ' A' ' 113' ' ' LEU . 33.3 pt -61.71 -31.35 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 129' ' ' LEU . 12.2 mt -61.54 -48.33 81.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.19 -38.94 72.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 p -64.12 -43.69 94.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.29 -51.31 31.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.939 0.4 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -121.6 137.12 54.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.0 t -50.09 -44.71 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.22 -43.71 84.06 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.25 -57.16 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.7 t90 -53.45 -44.67 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 11' ' ' ILE . 8.9 tp -64.3 -46.18 84.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.58 -30.27 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -75.8 -57.08 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.618 HG21 ' HB1' ' A' ' 58' ' ' ALA . 27.6 pt -58.15 -32.5 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.98 -114.46 0.36 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.517 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 mt -134.7 159.0 73.83 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.681 0.753 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 75.87 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.406 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -119.59 -29.26 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.508 ' H ' HD21 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -101.49 1.56 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.11 -66.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -52.42 -51.65 58.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.36 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -49.65 -55.83 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.97 -60.88 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.51 -20.55 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -91.64 13.86 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.4 -23.7 26.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -77.06 66.86 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.962 0.41 . . . . 0.0 110.839 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -98.41 -22.22 16.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -122.42 127.68 49.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -53.44 -32.32 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -57.72 -27.73 63.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.78 -25.98 43.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.737 ' O ' HG12 ' A' ' 35' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 31' ' ' MET . 7.4 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.837 0.351 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.95 147.37 5.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.94 176.29 8.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.29 -48.14 82.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -51.67 -39.18 57.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -67.81 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -46.93 -33.53 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 tp -77.69 -44.89 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' HB3' HD11 ' A' ' 122' ' ' ILE . 43.1 tt0 -56.14 -35.52 67.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 41' ' ' LEU . 70.8 mt -53.19 -73.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.99 73.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.3 mm . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 111.166 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -39.03 57.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -62.23 -54.27 43.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -54.6 -55.9 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.77 -33.14 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 56' ' ' LEU . 7.5 mt -61.55 -58.16 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -63.15 -32.78 74.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.618 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -69.71 -40.38 76.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.735 HD11 ' CG ' ' A' ' 31' ' ' MET . 10.3 tp -86.65 -12.9 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -97.45 -22.43 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 61' ' ' LEU . 4.2 tt -116.39 -40.56 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 58' ' ' ALA . 3.8 mm? . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.606 0.717 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.815 0.34 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 m -74.75 173.8 10.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.77 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.9 t -54.86 -41.37 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.38 -70.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -51.38 -40.05 58.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.5 ' CH2' HD11 ' A' ' 132' ' ' LEU . 14.7 t90 -57.52 -68.42 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.99 -28.47 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -56.94 -23.62 46.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -100.47 -12.12 19.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 85' ' ' ILE . 9.7 mm -90.53 12.35 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 66.89 13.73 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.42 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.3 mm? -109.51 178.4 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.67 -53.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.35 -39.25 45.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.42 ' CD2' HD12 ' A' ' 87' ' ' LEU . 25.4 m-85 -52.83 -32.47 44.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -46.2 -35.73 5.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -65.04 -57.09 9.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.65 -47.28 86.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -56.26 -47.03 79.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.23 -61.07 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.8 pt -56.04 -25.03 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -75.3 -27.17 59.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.48 11.31 15.38 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.432 ' CE2' HD21 ' A' ' 117' ' ' LEU . 77.2 m-85 -80.8 97.91 7.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.961 0.41 . . . . 0.0 110.96 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.64 -48.28 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.196 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.42 ' H ' HD12 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -99.67 137.67 37.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -33.22 74.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -41.88 62.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.42 HD12 ' H ' ' A' ' 101' ' ' SER . 6.0 mt -58.98 -30.6 68.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.438 ' HB3' HD13 ' A' ' 132' ' ' LEU . 24.5 mt -61.63 -24.08 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -93.78 16.61 13.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.29 21.43 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.7 pt -128.75 162.92 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -113.76 177.94 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.694 ' OE2' HD11 ' A' ' 114' ' ' ILE . 35.1 tp10 -53.17 -59.3 4.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -51.2 -42.59 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 116' ' ' VAL . 64.9 mm-40 -60.39 -43.41 96.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.73 HD11 HD12 ' A' ' 119' ' ' ILE . 28.3 tp -65.09 -38.56 91.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.694 HD11 ' OE2' ' A' ' 110' ' ' GLU . 47.9 mt -80.27 -17.56 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.33 -19.05 20.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 112' ' ' GLU . 93.1 t -107.68 -55.2 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.532 HD23 HD12 ' A' ' 113' ' ' LEU . 3.4 mm? -90.34 -28.1 18.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 49.38 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.73 HD12 HD11 ' A' ' 113' ' ' LEU . 22.8 mt -95.55 97.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -93.07 -21.26 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.9 tp -65.66 118.42 9.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.449 HD11 ' HB3' ' A' ' 43' ' ' GLU . 65.7 mt -54.38 -44.45 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.04 -73.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.547 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -49.12 -52.28 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.723 0.296 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -50.78 -65.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -51.8 -34.99 42.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.43 -66.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.413 HD11 HD12 ' A' ' 119' ' ' ILE . 16.2 pt -62.44 -36.09 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.4 tp -60.27 -59.84 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 35' ' ' VAL . . . -63.94 -30.37 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -67.41 -52.19 42.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.902 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.5 HD11 ' CH2' ' A' ' 81' ' ' TRP . 44.6 mt -69.4 -52.28 28.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 m -115.69 124.87 51.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.2 t -51.6 -43.4 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.22 70.03 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -58.22 -52.8 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.46 ' CE2' HD13 ' A' ' 11' ' ' ILE . 57.9 t90 -60.24 -56.04 26.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.706 HD21 ' HB2' ' A' ' 16' ' ' TYR . 12.2 tp -56.9 -27.67 61.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -76.23 -39.83 53.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 t -67.49 -43.21 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.46 HD13 ' CE2' ' A' ' 7' ' ' TRP . 27.3 pt -81.1 -30.53 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.37 -107.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -153.03 159.25 32.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -8.23 23.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -54.06 -27.19 30.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.731 ' CE1' HG23 ' A' ' 46' ' ' ILE . 92.9 m-85 -102.34 -13.84 17.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -51.6 -54.28 29.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -51.62 -49.59 61.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -53.6 56.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.798 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.73 -58.98 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.9 ttm -51.03 -56.39 12.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.22 -22.92 53.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' HA ' HD11 ' A' ' 121' ' ' LEU . 2.1 m120 -93.33 19.69 7.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.48 -24.57 22.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -78.29 70.04 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -102.55 -24.96 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -117.58 126.42 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.9 t -57.43 -22.06 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -57.67 -30.11 65.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.57 -25.98 29.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.604 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.7 m . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.889 0.376 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.458 ' HB2' HD13 ' A' ' 59' ' ' ILE . 10.3 mtp -52.16 151.0 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -126.96 170.41 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -50.02 69.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -58.21 -44.56 88.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.85 -66.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 pp -51.28 -31.17 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.7 tp -73.42 -35.38 65.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.763 ' HB3' HD11 ' A' ' 122' ' ' ILE . 2.3 tt0 -74.74 -30.19 61.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.9 mm -49.66 -67.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.19 39.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.731 HG23 ' CE1' ' A' ' 16' ' ' TYR . 6.2 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.791 0.329 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -51.58 -58.0 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -55.29 -31.06 61.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -66.0 -58.1 6.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.401 HD12 ' CD1' ' A' ' 46' ' ' ILE . 58.9 mt -61.42 -33.12 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 56' ' ' LEU . 12.1 mt -65.78 -62.98 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -59.23 -35.47 73.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.15 -61.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.645 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -58.68 -25.16 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -76.93 -43.9 33.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.81 -15.16 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 59' ' ' ILE . 6.7 mt . . . . . 0 C--N 1.327 -0.382 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.835 0.35 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 m -76.85 161.64 28.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.672 HG21 ' HB3' ' A' ' 99' ' ' TYR . 61.7 t -52.97 -36.03 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.85 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -61.6 -18.07 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.604 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 10.0 t90 -76.64 -51.94 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 85' ' ' ILE . 11.0 mt -76.2 -39.71 54.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.33 -25.54 67.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.0 t -89.68 5.24 46.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.525 HD11 ' OG ' ' A' ' 131' ' ' SER . 70.9 mt -110.46 -74.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -174.1 -52.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 90' ' ' TYR . 3.8 mm? -51.48 -79.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.07 -54.43 4.23 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -50.28 -41.5 50.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.498 ' CD2' HD12 ' A' ' 87' ' ' LEU . 5.1 m-85 -51.22 -28.14 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.422 HG22 HD12 ' A' ' 95' ' ' LEU . 92.4 m -44.76 -38.18 4.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.81 -59.67 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.38 76.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.06 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.656 ' HB3' HG11 ' A' ' 78' ' ' VAL . 9.4 m-85 -58.49 -53.91 53.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.422 HD12 HG22 ' A' ' 91' ' ' THR . 5.9 mt -54.41 -57.23 12.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.3 pt -59.15 -27.59 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -73.76 -17.67 61.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.0 12.3 14.42 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.672 ' HB3' HG21 ' A' ' 78' ' ' VAL . 70.6 m-85 -90.07 98.7 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 0.0 110.904 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.41 -20.66 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.423 ' H ' HD12 ' A' ' 104' ' ' LEU . 6.7 m -127.25 127.49 44.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.484 ' HG3' HD12 ' A' ' 105' ' ' LEU . 8.3 ttm -54.37 -32.88 57.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -51.27 -44.75 61.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.423 HD12 ' H ' ' A' ' 101' ' ' SER . 9.7 mt -54.9 -31.61 60.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.484 HD12 ' HG3' ' A' ' 102' ' ' MET . 25.3 mt -61.97 -19.61 62.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -22.03 60.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -103.25 17.99 22.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.8 mm -99.16 128.6 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -102.97 172.02 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.064 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -54.45 -64.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.2 p -49.68 -45.89 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 116' ' ' VAL . 4.4 mm-40 -58.71 -36.66 74.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.564 HD11 ' CD1' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -70.58 -39.54 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.469 ' N ' HD23 ' A' ' 113' ' ' LEU . 40.1 mt -76.38 -20.59 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -91.94 -27.57 17.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 112' ' ' GLU . 98.8 t -96.64 -58.38 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 117' ' ' LEU . 3.3 mm? -84.28 -39.06 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.8 mttt 64.4 47.05 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.564 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.8 mt -67.07 -62.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.6 t30 50.15 49.36 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.509 HD23 ' CD2' ' A' ' 124' ' ' HIS . 12.1 tp -145.53 127.45 15.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 43' ' ' GLU . 7.6 mm -52.97 -64.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -44.99 -66.45 1.47 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.509 ' CD2' HD23 ' A' ' 121' ' ' LEU . 28.8 m170 -49.85 -46.89 51.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.14 -63.82 1.03 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.53 -42.32 54.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -57.94 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.604 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 49.4 mt -63.39 -54.26 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.6 tp -50.51 -31.97 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -76.47 -47.45 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.525 ' OG ' HD11 ' A' ' 85' ' ' ILE . 32.4 t -63.89 -26.57 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.7 mt -87.19 -45.17 10.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.496 179.871 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.79 0.329 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 m -152.75 134.14 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -52.35 -49.17 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.46 -41.4 88.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.4 -52.11 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.724 0.297 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.407 ' NE1' HD11 ' A' ' 62' ' ' LEU . 40.8 t90 -61.49 -53.21 59.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.694 HD12 HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -54.16 -44.29 71.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.79 -36.1 81.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.7 t -65.7 -39.16 90.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.511 HG21 ' HB1' ' A' ' 58' ' ' ALA . 49.3 pt -82.51 -25.08 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.03 -112.18 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.0 159.19 43.61 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.569 0.699 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 73.28 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.47 2.11 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -137.93 10.07 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.65 -55.53 22.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -56.56 -49.39 74.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.73 -59.17 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.694 HD22 HD12 ' A' ' 8' ' ' LEU . 3.0 mp -50.21 -59.43 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.1 ttm -50.51 -57.03 9.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.63 -23.33 50.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -93.24 20.33 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.91 -24.44 21.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.409 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.23 69.63 4.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.37 -24.49 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -121.39 129.72 53.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 t -59.15 -23.06 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -59.88 -21.92 61.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.62 -20.48 56.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.545 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.843 0.354 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.487 ' HB3' HG21 ' A' ' 59' ' ' ILE . 3.0 ttt -52.15 107.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -79.64 158.69 26.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -53.42 -44.27 68.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.72 -55.76 10.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.58 -50.42 72.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.665 HD11 HD12 ' A' ' 55' ' ' ILE . 16.6 tp -49.04 -53.08 21.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.616 HD23 ' HD2' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -68.39 -29.45 68.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -67.3 -31.21 71.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 41' ' ' LEU . 28.4 mt -63.54 -74.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.68 52.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.442 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.3 mm . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.883 0.373 . . . . 0.0 111.107 -179.951 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.8 t60 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.616 ' HD2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -51.3 -63.6 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -52.34 -37.66 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 tpt85 -56.74 -63.17 1.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.665 HD12 HD11 ' A' ' 41' ' ' LEU . 78.7 mt -59.59 -34.37 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.61 -63.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.418 ' HG2' HD12 ' A' ' 61' ' ' LEU . 32.0 tt0 -57.72 -34.29 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.511 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -66.74 -69.63 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.633 HD12 HD12 ' A' ' 62' ' ' LEU . 4.6 tp -52.46 -28.97 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -79.14 -32.87 44.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.418 HD12 ' HG2' ' A' ' 57' ' ' GLN . 19.4 mt -80.38 -20.55 43.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 59' ' ' ILE . 37.5 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.986 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.752 0.31 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -171.52 161.52 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.498 HG11 ' CB ' ' A' ' 94' ' ' PHE . 40.5 t -51.15 -37.63 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.72 -55.76 26.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -70.78 -14.85 62.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.446 ' CE3' HG13 ' A' ' 78' ' ' VAL . 9.6 t90 -81.51 -39.07 25.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.449 HD12 HG12 ' A' ' 78' ' ' VAL . 7.5 mt -91.15 -43.45 9.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -26.89 62.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.0 m -83.67 -12.87 55.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.482 HD11 ' OG ' ' A' ' 131' ' ' SER . 85.1 mt -88.09 -72.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.573 ' HB3' HD23 ' A' ' 87' ' ' LEU . 5.8 tt0 -159.78 -54.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD21 ' HD2' ' A' ' 127' ' ' ARG . 0.9 OUTLIER -120.63 123.3 42.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.99 -2.8 58.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -54.0 -40.87 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 87' ' ' LEU . 8.1 m-85 -51.93 -29.71 21.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.0 m -45.08 -36.84 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.591 ' O ' HG23 ' A' ' 96' ' ' ILE . 4.9 mmtm -62.22 -50.04 73.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.401 ' HA ' HG12 ' A' ' 96' ' ' ILE . . . -63.08 -47.13 84.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.498 ' CB ' HG11 ' A' ' 78' ' ' VAL . 21.9 m-85 -55.73 -47.58 76.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 40.9 mt -63.1 -62.97 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.591 HG23 ' O ' ' A' ' 92' ' ' LYS . 25.8 pt -49.88 -29.59 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -73.95 -36.04 64.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.53 -11.46 4.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.634 ' CD1' HD23 ' A' ' 105' ' ' LEU . 97.7 m-85 -65.45 97.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.888 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.99 -40.43 6.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.6 m -107.05 163.29 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.4 ttm -74.03 -43.23 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.43 -39.11 31.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 104' ' ' LEU . 2.0 tt -57.83 -37.7 74.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.634 HD23 ' CD1' ' A' ' 99' ' ' TYR . 12.3 mt -64.88 -20.0 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -86.61 -8.34 57.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -93.8 18.26 10.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.3 pt -138.93 142.65 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.587 ' HB3' ' OE1' ' A' ' 112' ' ' GLU . . . -98.5 -173.09 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -52.84 -62.32 1.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 112' ' ' GLU . 4.0 p -49.55 -42.66 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.162 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.587 ' OE1' ' HB3' ' A' ' 109' ' ' ALA . 11.7 mp0 -60.76 -40.09 91.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.722 HD11 HD12 ' A' ' 119' ' ' ILE . 38.8 tp -68.16 -38.45 82.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.9 mt -80.8 -16.57 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.89 -21.02 17.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.488 HG12 HD22 ' A' ' 117' ' ' LEU . 93.6 t -102.43 -52.47 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.518 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.8 mm? -91.31 9.99 29.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.2 pttt 39.02 45.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.722 HD12 HD11 ' A' ' 113' ' ' LEU . 57.9 mt -93.01 98.59 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -94.84 -34.24 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.42 HD23 ' CD2' ' A' ' 124' ' ' HIS . 3.2 tp -51.54 124.96 13.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.24 -50.16 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.05 -64.29 3.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.42 ' CD2' HD23 ' A' ' 121' ' ' LEU . 35.4 m170 -53.19 -53.78 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.732 0.301 . . . . 0.0 110.811 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -28.37 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -63.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.615 ' HD2' HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -48.02 -41.14 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.523 HD12 HD13 ' A' ' 119' ' ' ILE . 21.1 mt -71.58 -50.99 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 63.0 tp -51.1 -47.45 61.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.74 -43.07 69.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.482 ' OG ' HD11 ' A' ' 85' ' ' ILE . 35.5 t -57.67 -32.45 67.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.62 -51.63 8.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.436 179.872 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -126.76 128.91 47.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.7 t -51.11 -50.46 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.66 -48.01 67.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.417 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -58.26 -57.3 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.517 ' CH2' HD13 ' A' ' 59' ' ' ILE . 52.7 t90 -57.23 -57.68 11.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.771 HD21 ' HB2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -52.06 -33.73 40.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -76.96 -30.55 56.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.5 t -78.7 -23.75 45.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 pt -102.22 -20.25 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.412 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -142.83 -137.82 3.37 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.409 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.412 HD22 ' C ' ' A' ' 12' ' ' GLY . 4.0 mm? -116.53 157.58 45.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.576 0.703 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -169.72 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 63.34 13.34 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.771 ' HB2' HD21 ' A' ' 8' ' ' LEU . 3.2 m-85 -109.97 -24.84 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -54.35 -44.57 72.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -51.51 -48.45 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.51 -53.47 47.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 8' ' ' LEU . 1.1 mp -53.44 -61.29 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.26 -51.96 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.57 -27.95 65.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.562 ' HA ' HD11 ' A' ' 121' ' ' LEU . 2.2 m120 -88.51 7.8 31.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.65 -24.02 31.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.404 ' HD2' HD11 ' A' ' 44' ' ' ILE . 2.4 m-85 -79.67 61.9 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -99.39 -17.35 18.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -120.91 124.75 45.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.38 -31.31 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.86 -25.16 55.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 -30.91 59.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.632 ' HG3' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.818 0.342 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.613 ' HB3' HG21 ' A' ' 59' ' ' ILE . 10.6 tpp -52.59 101.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -71.33 162.2 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.58 ' HA ' HD23 ' A' ' 41' ' ' LEU . 1.1 p30 -61.2 -48.75 80.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -54.81 -37.64 66.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.87 -62.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.58 HD23 ' HA ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -50.79 -29.26 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -84.82 -33.08 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.973 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.552 ' CB ' HD11 ' A' ' 122' ' ' ILE . 2.9 mt-10 -66.77 -34.55 78.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.41 HD11 HG21 ' A' ' 122' ' ' ILE . 23.5 mm -50.85 -73.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.32 36.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.448 HD12 ' CE2' ' A' ' 16' ' ' TYR . 34.0 mm . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 111.143 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.7 t60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.786 0.327 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.66 -58.98 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -54.09 -39.14 66.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -57.33 -61.15 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.73 -32.13 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.89 -71.55 0.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -33.18 25.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.86 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.632 HD11 ' HG3' ' A' ' 31' ' ' MET . 7.8 tp -66.63 -11.83 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -99.83 -27.19 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.4 tp -89.91 -46.91 8.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.805 0.336 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -164.94 174.71 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.642 HG11 ' HB3' ' A' ' 94' ' ' PHE . 38.9 t -51.33 -40.01 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.97 -63.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -51.41 -31.95 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.574 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 5.1 t90 -70.43 -60.75 2.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.05 -22.33 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.14 -26.4 38.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -96.97 -14.99 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 85' ' ' ILE . 10.7 mm -88.84 10.67 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 59.03 28.05 17.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.636 HD22 ' CD2' ' A' ' 90' ' ' TYR . 13.5 mt -127.42 145.16 50.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.39 -44.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -53.08 -40.62 64.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.636 ' CD2' HD22 ' A' ' 87' ' ' LEU . 5.9 m-85 -51.91 -31.22 27.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.1 m -49.16 -38.26 24.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -61.29 -55.71 28.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.49 86.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.642 ' HB3' HG11 ' A' ' 78' ' ' VAL . 7.8 m-85 -55.72 -45.1 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.96 -63.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.5 pt -52.63 -29.06 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.182 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -68.25 -35.1 77.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.17 12.25 5.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.758 ' CD1' HD12 ' A' ' 104' ' ' LEU . 87.1 m-85 -86.34 97.64 10.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.3 p -113.15 -37.96 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -105.17 137.02 43.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.648 ' SD ' HD12 ' A' ' 105' ' ' LEU . 12.2 tpp -54.64 -47.74 73.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -47.44 -33.99 6.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.758 HD12 ' CD1' ' A' ' 99' ' ' TYR . 1.8 tm? -54.97 -44.32 74.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.648 HD12 ' SD ' ' A' ' 102' ' ' MET . 19.8 mt -61.83 -21.79 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -68.15 -22.15 64.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.427 ' O ' HD12 ' A' ' 108' ' ' ILE . 41.6 mtpt -99.54 20.17 14.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 107' ' ' LYS . 1.4 mp -117.13 139.48 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.16 -172.66 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.034 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -57.2 -56.51 20.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 112' ' ' GLU . 4.7 p -55.17 -44.66 75.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 111' ' ' VAL . 6.4 mm-40 -61.8 -35.56 78.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.913 HD11 HD12 ' A' ' 119' ' ' ILE . 14.8 tp -69.5 -44.68 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.9 mt -78.38 -15.26 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -96.86 -21.9 17.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.75 -56.71 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.44 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.8 mm? -83.92 -20.31 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt 58.72 46.94 13.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.913 HD12 HD11 ' A' ' 113' ' ' LEU . 32.1 mt -92.25 117.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -117.98 -28.04 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.562 HD11 ' HA ' ' A' ' 23' ' ' ASN . 15.0 tp -51.69 131.54 30.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.552 HD11 ' CB ' ' A' ' 43' ' ' GLU . 7.0 mm -54.75 -65.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -45.14 -63.31 2.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.544 ' CD2' HD23 ' A' ' 121' ' ' LEU . 30.3 m170 -51.93 -41.27 61.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -61.98 -69.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -49.7 -45.02 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -55.14 -69.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.641 HD12 HD13 ' A' ' 119' ' ' ILE . 76.5 mt -52.12 -53.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.4 OUTLIER -51.49 -35.47 40.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.6 -49.23 55.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.1 p -56.23 -43.54 78.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 67.8 mt -75.22 -34.58 61.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.395 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m -160.0 137.26 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.8 t -49.72 -30.6 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.81 -54.41 33.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -67.12 -47.04 72.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -56.82 -57.2 13.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -58.14 -46.97 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.39 -34.6 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -68.87 -53.56 20.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.782 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.1 pt -65.83 -23.65 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.25 -105.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.4 mt -155.13 157.83 31.91 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.575 0.703 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 72.85 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.667 2.245 . . . . 0.0 112.267 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.46 -26.88 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.505 ' CE2' HG23 ' A' ' 46' ' ' ILE . 9.3 m-85 -113.35 -2.49 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -52.56 -46.95 67.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -58.53 -52.84 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -54.08 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.506 HD23 ' HB3' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -51.45 -61.49 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.4 mtp -50.33 -53.39 29.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.58 -24.27 63.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.549 ' HA ' HD11 ' A' ' 121' ' ' LEU . 4.4 t-20 -94.1 19.71 8.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.98 -24.19 22.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.506 ' HB3' HD23 ' A' ' 20' ' ' LEU . 3.2 m-85 -79.07 68.66 5.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -107.69 -10.28 15.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -125.85 129.12 48.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.2 t -59.3 -21.39 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.16 -24.77 65.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.71 -21.6 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.875 0.369 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.424 ' CB ' HD13 ' A' ' 59' ' ' ILE . 20.5 ttm -59.37 123.85 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -97.68 -178.01 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.17 -35.87 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -54.11 -60.99 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.28 -40.82 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.605 HD21 ' CB ' ' A' ' 52' ' ' ARG . 7.2 tp -48.91 -52.12 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.66 -35.34 62.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -61.94 -25.66 67.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.43 HD13 HD12 ' A' ' 122' ' ' ILE . 8.8 mm -73.07 -69.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.19 42.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.531 HD13 HD12 ' A' ' 41' ' ' LEU . 4.4 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.116 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.76 0.314 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.605 ' CB ' HD21 ' A' ' 41' ' ' LEU . 48.6 mtp180 -52.13 -49.32 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.04 -51.86 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.41 -61.19 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.503 HD12 HG21 ' A' ' 46' ' ' ILE . 60.5 mt -59.03 -31.25 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.475 ' HG ' HD22 ' A' ' 41' ' ' LEU . 8.6 mt -64.97 -58.48 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -61.87 -43.96 97.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.01 -59.09 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.424 HD13 ' CB ' ' A' ' 36' ' ' MET . 1.5 tt -61.89 -27.31 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.01 -44.11 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.25 -65.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.8 tp . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.872 179.901 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.756 0.313 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.3 m -126.94 163.53 23.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.546 HG11 ' HB3' ' A' ' 94' ' ' PHE . 64.7 t -51.53 -38.44 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.04 -61.91 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -51.94 -30.93 26.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.524 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 7.1 t90 -76.0 -60.02 2.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.53 -27.74 17.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.62 -23.98 44.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -74.83 -22.39 58.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.624 ' HB ' HD12 ' A' ' 87' ' ' LEU . 1.8 mm -94.94 23.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 39.82 42.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.624 HD12 ' HB ' ' A' ' 85' ' ' ILE . 3.9 mt -110.99 -79.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.52 -52.46 4.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.88 -46.54 51.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.486 ' CD2' HD22 ' A' ' 87' ' ' LEU . 1.8 m-85 -53.8 -32.89 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.7 m -47.95 -34.1 8.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -64.41 -56.51 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.61 -44.29 89.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.546 ' HB3' HG11 ' A' ' 78' ' ' VAL . 11.6 m-85 -58.71 -47.72 83.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.95 -59.09 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.0 pt -56.8 -28.98 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -72.45 -26.46 61.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.87 5.08 20.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.717 ' CD1' HD11 ' A' ' 104' ' ' LEU . 90.9 m-85 -75.85 96.65 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.906 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.54 -30.67 8.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.178 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.466 ' HB2' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -102.0 170.67 7.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.5 ttt -101.67 -42.33 6.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.85 -41.35 64.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.717 HD11 ' CD1' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -59.61 -29.3 67.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.7 mt -59.18 -22.23 60.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -98.14 22.74 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -123.05 19.46 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.945 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 9.9 pt -125.54 162.73 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -112.18 -174.37 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.8 -57.14 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.7 p -51.31 -43.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.2 mm-40 -62.69 -47.41 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.991 HD11 HD12 ' A' ' 119' ' ' ILE . 11.8 tp -59.65 -36.35 76.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.7 mt -84.14 -19.05 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -93.0 -14.04 27.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 112' ' ' GLU . 61.3 t -114.68 -52.23 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.636 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.3 mm? -94.87 -25.78 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.1 tptm 64.81 46.29 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.991 HD12 HD11 ' A' ' 113' ' ' LEU . 24.8 mt -89.96 95.34 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -96.28 -32.95 12.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 23' ' ' ASN . 13.8 tp -51.84 124.26 12.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.43 HD12 HD13 ' A' ' 44' ' ' ILE . 73.1 mt -55.34 -51.06 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.89 -70.37 0.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.464 ' CE1' HD23 ' A' ' 121' ' ' LEU . 35.1 m170 -51.19 -36.29 40.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -67.69 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -44.24 76.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -51.84 -60.63 2.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.524 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 74.6 mt -59.12 -49.08 84.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.213 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.3 mp -51.61 -40.81 60.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.41 -43.05 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 t -56.86 -35.18 68.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.0 mt -82.91 -48.99 10.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.846 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.894 0.378 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.47 HG22 ' H ' ' A' ' 5' ' ' GLY . 17.3 m -118.84 133.43 55.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.63 ' CG1' HD22 ' A' ' 20' ' ' LEU . 84.4 t -51.57 -36.69 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 3' ' ' THR . . . -63.49 -42.46 98.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -69.06 -47.57 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.436 ' CE2' HD11 ' A' ' 62' ' ' LEU . 56.2 t90 -64.04 -45.01 90.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.39 -51.47 67.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.71 -27.81 68.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.7 t -71.41 -43.66 66.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 pt -79.64 -32.45 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.695 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -149.44 -122.78 1.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 12' ' ' GLY . 4.1 mm? -132.8 157.27 78.77 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.625 0.726 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 74.06 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -125.35 -4.96 7.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -131.2 2.65 4.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.86 -62.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -49.53 -50.16 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -48.26 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.63 HD22 ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -53.52 -64.8 0.71 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.4 ptp -54.54 -45.69 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.3 67.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -95.93 19.64 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.64 -22.83 31.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.612 ' HB3' HD23 ' A' ' 20' ' ' LEU . 3.4 m-85 -78.96 68.6 4.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.914 0.388 . . . . 0.0 110.961 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -104.72 -24.53 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.1 122.05 43.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.8 t -51.07 -27.15 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -53.95 -41.16 67.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' HD3' ' A' ' 127' ' ' ARG . . . -59.37 -23.54 62.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.617 ' HB3' HD11 ' A' ' 59' ' ' ILE . 5.8 mmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.823 0.344 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttt -51.61 110.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -105.0 172.38 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.616 ' HA ' HD23 ' A' ' 41' ' ' LEU . 8.7 p-10 -58.45 -39.49 79.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.5 -43.49 79.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.5 -56.22 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.626 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -56.64 -23.38 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 tp -92.71 -28.98 16.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HB3' HD11 ' A' ' 122' ' ' ILE . 32.5 tt0 -74.93 -36.05 62.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 41' ' ' LEU . 21.0 mt -56.33 -74.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.16 38.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.58 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 46' ' ' ILE . 16.2 mm . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.893 0.377 . . . . 0.0 111.19 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.819 0.343 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HG2' HD11 ' A' ' 41' ' ' LEU . 25.3 mtp180 -53.76 -57.92 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -60.7 -35.34 76.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -60.49 -68.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.12 -40.23 54.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.66 -48.91 79.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.19 -42.53 99.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.3 -54.42 37.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 31' ' ' MET . 1.1 tp -63.68 -28.16 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -74.43 -37.49 63.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 61' ' ' LEU . 1.4 pp -90.05 -12.13 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 59' ' ' ILE . 6.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.953 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.774 0.321 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -52.78 172.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 99' ' ' TYR . 18.6 t -59.34 -46.47 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.79 -61.9 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -51.04 -42.47 60.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.419 ' CH2' HG23 ' A' ' 128' ' ' ILE . 3.1 t90 -57.9 -62.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 87' ' ' LEU . 20.9 mt -60.0 -20.77 59.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.19 -35.14 73.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.9 m -83.01 -3.76 57.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 85' ' ' ILE . 6.5 mt -120.89 26.99 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.237 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 39.87 41.04 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.637 HD22 ' CD2' ' A' ' 90' ' ' TYR . 17.6 mt -130.07 30.96 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.28 -31.79 56.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.02 -41.94 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 87' ' ' LEU . 2.8 m-85 -54.77 -26.55 35.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.8 m -49.39 -31.98 10.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -57.0 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.54 -48.26 82.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -55.69 -45.8 77.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.48 -61.54 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.8 pt -54.46 -26.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -75.34 -29.79 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.23 20.27 6.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.729 ' CD1' HD11 ' A' ' 104' ' ' LEU . 71.6 m-85 -87.85 88.94 7.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 110.972 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.8 p -97.77 -43.89 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.732 ' HB2' HD23 ' A' ' 104' ' ' LEU . 1.2 m -86.98 169.78 12.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.3 ttt -101.32 -44.95 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.5 -39.19 64.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.732 HD23 ' HB2' ' A' ' 101' ' ' SER . 1.0 OUTLIER -59.39 -29.51 67.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 99' ' ' TYR . 48.9 mt -58.11 -22.83 52.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -96.4 23.7 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -116.66 -0.98 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.4 pt -107.16 160.66 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -111.23 177.86 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -51.12 -62.66 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.6 p -50.49 -45.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 116' ' ' VAL . 49.8 mm-40 -55.71 -42.23 74.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.758 HD11 HD12 ' A' ' 119' ' ' ILE . 13.2 tp -69.37 -35.77 76.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 59.7 mt -78.15 -17.52 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -99.99 -20.74 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 112' ' ' GLU . 93.1 t -104.32 -55.54 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.692 HD23 HD12 ' A' ' 113' ' ' LEU . 3.6 mm? -87.33 -24.47 24.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt 64.2 43.5 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.758 HD12 HD11 ' A' ' 113' ' ' LEU . 26.0 mt -90.95 106.06 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -102.29 -30.0 11.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.58 HD23 ' CD2' ' A' ' 124' ' ' HIS . 6.4 tp -55.06 135.94 48.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.407 HD11 ' HB3' ' A' ' 43' ' ' GLU . 67.4 mt -69.23 -52.15 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -52.15 -45.43 57.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.58 ' CD2' HD23 ' A' ' 121' ' ' LEU . 29.4 m170 -70.86 -60.63 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.94 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -31.12 20.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -73.61 -60.83 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.61 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 47.2 mtm180 -49.93 -44.86 50.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.581 HD12 HD13 ' A' ' 119' ' ' ILE . 58.6 mt -67.52 -51.81 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 67.8 tp -50.12 -46.87 54.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.89 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -46.79 78.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.1 mt -84.89 -25.84 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.596 ' HG3' HG21 ' A' ' 28' ' ' VAL . 26.2 tp60 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.875 0.369 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -136.96 128.5 28.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.45 -30.84 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.66 -50.82 45.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.58 -44.63 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.525 ' NE1' HD11 ' A' ' 62' ' ' LEU . 66.6 t90 -61.0 -44.49 97.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 14' ' ' PRO . 5.0 tp -65.44 -50.32 65.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -23.59 66.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -79.55 -39.83 30.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 7' ' ' TRP . 46.1 pt -78.4 -26.65 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.24 -127.49 0.89 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.618 HD13 ' HD2' ' A' ' 14' ' ' PRO . 0.4 OUTLIER -107.69 126.93 28.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 0.0 110.871 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.661 ' HA ' HD23 ' A' ' 8' ' ' LEU . 52.9 Cg_endo -69.88 74.87 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.302 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -131.98 5.07 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -121.03 -7.38 9.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -51.55 -47.78 63.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -53.4 -43.57 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -57.57 8.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.72 -59.41 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 ttt -51.92 -54.82 25.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.67 -23.47 59.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.698 HD22 HG23 ' A' ' 44' ' ' ILE . 13.0 m-20 -92.89 19.65 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.02 -22.8 27.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -78.38 70.33 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.96 -18.05 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -121.14 125.33 46.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.596 HG21 ' HG3' ' A' ' 2' ' ' GLN . 17.3 t -55.03 -28.64 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -59.1 -33.46 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.92 -19.35 41.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.478 ' SD ' HG13 ' A' ' 28' ' ' VAL . 10.2 mtt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.817 0.342 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.43 ' HG3' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -56.02 157.0 4.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -166.13 -171.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.33 -33.11 74.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -56.24 -60.35 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.58 -41.88 92.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 41' ' ' LEU . 7.2 tp -51.92 -44.14 63.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.9 tp -82.34 -28.68 31.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -65.47 -30.92 71.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.698 HG23 HD22 ' A' ' 23' ' ' ASN . 14.7 mt -68.63 -74.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.176 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 151.34 39.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.815 HG21 HD12 ' A' ' 55' ' ' ILE . 15.3 mm . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 t60 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.729 0.3 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -62.69 -64.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -52.04 -34.54 43.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -64.47 -60.75 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.815 HD12 HG21 ' A' ' 46' ' ' ILE . 96.2 mt -58.52 -38.23 69.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -58.94 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -57.16 -36.91 71.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.47 -65.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.451 ' HA ' HD12 ' A' ' 62' ' ' LEU . 3.6 tt -52.5 -27.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -83.38 -32.18 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.7 tp -82.11 -16.2 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.525 HD11 ' NE1' ' A' ' 7' ' ' TRP . 19.9 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.853 0.359 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.9 t -123.46 173.41 8.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.669 HG11 ' HB3' ' A' ' 94' ' ' PHE . 61.1 t -53.07 -40.21 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.3 -75.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -50.74 -34.01 25.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.589 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 14.8 t90 -58.33 -52.85 63.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.47 -27.48 58.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.99 -6.13 49.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -110.49 9.06 23.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.72 HG22 ' HG2' ' A' ' 86' ' ' GLU . 87.8 mt -114.64 -78.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.72 ' HG2' HG22 ' A' ' 85' ' ' ILE . 4.1 pt-20 -177.25 31.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 124' ' ' HIS . 8.9 mt -145.63 -179.25 6.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.8 -52.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -55.02 -35.33 64.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.506 ' CD2' HD22 ' A' ' 87' ' ' LEU . 1.8 m-85 -52.53 -30.84 32.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.9 m -49.07 -37.15 20.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -61.6 -51.78 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.29 90.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.669 ' HB3' HG11 ' A' ' 78' ' ' VAL . 12.9 m-85 -57.43 -45.84 84.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.59 -60.51 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.9 pt -53.96 -29.05 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -72.59 -28.51 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.74 8.6 13.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.49 ' O ' HG21 ' A' ' 78' ' ' VAL . 92.0 m-85 -81.25 91.65 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.981 0.419 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.98 -72.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.405 ' N ' HD21 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -77.25 -176.85 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -30.13 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -50.82 -44.02 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -60.84 -30.53 70.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.489 HD13 ' CZ3' ' A' ' 81' ' ' TRP . 48.4 mt -63.21 -17.26 62.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -90.16 10.4 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -111.58 -45.76 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.939 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 113' ' ' LEU . 24.2 pt -54.82 152.02 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.217 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -103.91 178.62 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.508 ' C ' HD12 ' A' ' 114' ' ' ILE . 3.1 mt-10 -55.14 -66.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.807 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.1 -40.56 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 116' ' ' VAL . 10.7 mm-40 -55.07 -56.49 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.683 HD13 HD12 ' A' ' 119' ' ' ILE . 0.5 OUTLIER -69.2 -26.93 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.508 HD12 ' C ' ' A' ' 110' ' ' GLU . 29.9 mt -74.7 -23.86 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.42 -22.67 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 112' ' ' GLU . 71.0 t -91.1 -54.22 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.411 HD22 HG12 ' A' ' 116' ' ' VAL . 3.7 mm? -85.72 -18.05 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt 64.34 42.71 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.683 HD12 HD13 ' A' ' 113' ' ' LEU . 17.0 mt -91.09 100.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -94.59 -34.22 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.53 HD23 ' CD2' ' A' ' 124' ' ' HIS . 3.3 tp -52.46 130.82 32.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 31.6 mt -68.13 -50.08 61.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.87 -42.0 68.58 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.537 ' CE1' HD21 ' A' ' 87' ' ' LEU . 36.9 m170 -71.89 -60.85 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -31.98 31.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -73.69 -54.89 7.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -37.86 53.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.589 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 57.4 mt -73.71 -53.77 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -52.62 -38.33 60.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.7 -37.54 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.487 ' OG ' HD11 ' A' ' 85' ' ' ILE . 1.7 t -61.02 -34.41 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 74.9 mt -92.88 -37.77 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 5' ' ' GLY . 26.1 m -152.18 124.81 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 86.0 t -53.39 -36.5 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.458 ' H ' HG22 ' A' ' 3' ' ' THR . . . -60.61 -47.96 88.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.432 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -66.92 -49.49 65.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.75 0.309 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -59.24 -51.83 68.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.552 HD21 ' H ' ' A' ' 16' ' ' TYR . 8.4 tp -58.55 -46.8 86.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.85 -36.15 78.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -66.71 -49.88 64.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' A' ' 58' ' ' ALA . 50.0 pt -69.91 -24.24 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.38 -102.83 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 mt -152.74 157.62 33.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.404 ' HA ' HD23 ' A' ' 8' ' ' LEU . 54.1 Cg_endo -69.7 72.4 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -127.71 -1.98 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.552 ' H ' HD21 ' A' ' 8' ' ' LEU . 2.8 m-85 -126.95 -1.46 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.45 -53.92 52.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -54.55 -45.06 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -63.69 -58.04 8.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mp -51.49 -58.53 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.3 ttm -52.47 -54.85 26.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.76 59.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.549 ' HA ' HD11 ' A' ' 121' ' ' LEU . 6.4 t-20 -92.07 14.67 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.34 -23.8 28.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.7 71.74 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.804 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -103.59 -22.98 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -111.61 123.65 50.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -53.37 -27.59 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -58.22 -30.81 66.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -23.84 64.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.9 mtt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.806 0.336 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.403 ' HG2' HD12 ' A' ' 59' ' ' ILE . 0.9 OUTLIER 61.46 72.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.9 -167.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -50.95 -34.51 29.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -60.23 -57.96 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -39.66 94.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.777 HD21 ' HA ' ' A' ' 52' ' ' ARG . 13.0 tp -58.18 -41.73 84.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.46 HD22 ' NH2' ' A' ' 52' ' ' ARG . 26.8 tp -83.99 -22.29 31.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CB ' HD11 ' A' ' 122' ' ' ILE . 1.0 OUTLIER -74.56 -31.88 62.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.1 mt -67.73 -74.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.735 ' O ' HD13 ' A' ' 46' ' ' ILE . . . 167.45 60.28 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 45' ' ' GLY . 16.8 mm . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.848 0.356 . . . . 0.0 111.187 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.777 ' HA ' HD21 ' A' ' 41' ' ' LEU . 41.4 mtt180 -51.27 -64.25 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.27 -46.52 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.18 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.0 mt -51.3 -48.3 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HG ' HD22 ' A' ' 41' ' ' LEU . 12.9 mt -51.14 -58.5 5.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -52.16 -48.36 64.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.514 ' CB ' HG21 ' A' ' 11' ' ' ILE . . . -58.73 -45.36 89.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.403 HD12 ' HG2' ' A' ' 36' ' ' MET . 28.3 mm -64.34 -36.16 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.066 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -69.18 -37.94 78.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.6 mt -87.63 -72.51 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.656 0.741 . . . . 0.0 110.934 179.913 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.86 0.362 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -136.57 176.46 8.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.42 HG11 ' CB ' ' A' ' 94' ' ' PHE . 38.3 t -52.7 -40.55 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.17 -72.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.033 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -50.84 -31.86 18.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.602 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 12.6 t90 -62.79 -57.18 11.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.414 HD12 HG12 ' A' ' 78' ' ' VAL . 12.2 mt -69.45 -21.47 63.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.17 -34.7 64.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -95.14 21.78 7.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 85' ' ' ILE . 6.0 mt -134.25 23.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.163 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 56.4 23.88 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.513 HD22 ' CD2' ' A' ' 90' ' ' TYR . 22.4 mt -126.36 131.81 51.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.45 -42.99 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -54.24 -37.17 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.68 ' OH ' HG23 ' A' ' 119' ' ' ILE . 2.6 m-85 -52.85 -31.6 40.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -48.32 -36.1 13.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -65.35 -58.68 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.46 -44.51 84.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.42 ' CB ' HG11 ' A' ' 78' ' ' VAL . 7.8 m-85 -58.65 -49.27 78.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.5 mt -57.91 -57.39 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.9 pt -58.78 -28.11 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -72.81 -18.35 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.2 28.19 7.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -92.02 47.94 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -75.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.3 t -67.37 126.97 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.1 ttt -51.39 -35.01 36.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.71 -29.99 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -51.35 -47.83 62.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.23 -24.97 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -66.62 -17.65 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -127.28 50.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.8 mm -118.12 136.0 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.59 164.15 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.69 ' O ' HD23 ' A' ' 113' ' ' LEU . 37.6 mm-40 -46.99 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.6 p -48.53 -32.79 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 116' ' ' VAL . 3.9 tp10 -54.97 -63.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.844 HD12 HD12 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -67.55 -25.63 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.505 HD12 ' C ' ' A' ' 110' ' ' GLU . 48.2 mt -72.0 -26.28 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -101.71 -24.18 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 112' ' ' GLU . 86.7 t -87.76 -56.17 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.27 -16.84 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 51.27 37.78 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.844 HD12 HD12 ' A' ' 113' ' ' LEU . 81.3 mt -62.59 -62.85 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.199 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 52.09 37.36 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.598 HD23 ' CG ' ' A' ' 124' ' ' HIS . 12.2 tp -130.75 121.48 25.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.409 HD11 ' CB ' ' A' ' 43' ' ' GLU . 5.0 mm -56.62 -51.08 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.83 -56.72 19.21 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.598 ' CG ' HD23 ' A' ' 121' ' ' LEU . 44.9 m170 -61.97 -59.51 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.336 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.92 -27.56 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -74.25 -62.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -51.41 -39.43 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.602 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 58.2 mt -71.03 -51.3 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 55.9 tp -50.81 -46.68 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.65 -37.17 65.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.2 t -59.07 -34.51 72.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 55.6 mt -93.2 -54.66 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 179.899 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.924 0.392 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.575 HG22 ' H ' ' A' ' 5' ' ' GLY . 58.9 m -139.95 135.52 32.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.54 ' CG1' HD22 ' A' ' 20' ' ' LEU . 92.7 t -50.27 -39.21 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.575 ' H ' HG22 ' A' ' 3' ' ' THR . . . -61.0 -47.87 89.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.74 -53.0 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.766 0.317 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -58.86 -54.36 47.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.774 HD22 HD13 ' A' ' 20' ' ' LEU . 19.4 tp -57.69 -35.74 71.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -67.75 -39.87 84.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.9 t -66.47 -47.69 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.476 HD11 HD12 ' A' ' 8' ' ' LEU . 32.7 pt -74.55 -23.6 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.09 -103.76 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.553 HD13 ' NE2' ' A' ' 15' ' ' GLN . 97.1 mt -154.47 154.48 29.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.68 0.752 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.96 22.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.553 ' NE2' HD13 ' A' ' 13' ' ' LEU . 1.2 mp0 -53.7 -27.98 31.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.518 ' HB2' HD21 ' A' ' 8' ' ' LEU . 63.3 m-85 -101.04 -13.79 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -50.98 -47.59 61.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -51.7 -45.22 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -48.49 75.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.774 HD13 HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -52.85 -63.83 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.3 ptm -54.2 -45.87 72.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.07 67.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.487 ' HA ' HD11 ' A' ' 121' ' ' LEU . 6.3 t-20 -94.62 18.67 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.26 -20.79 44.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.436 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -78.93 63.57 3.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.45 -14.12 16.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.18 123.19 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -56.69 -22.61 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -59.32 -31.6 69.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.61 -14.45 58.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.455 ' HB3' HD11 ' A' ' 59' ' ' ILE . 2.6 mpp? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.466 HG21 ' HG3' ' A' ' 126' ' ' LYS . 7.7 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.846 0.355 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.406 ' CB ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -61.14 102.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -113.21 -176.74 2.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.4 -36.66 64.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -50.99 -59.86 3.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.99 -42.43 94.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 52' ' ' ARG . 3.4 tp -50.58 -39.38 49.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -87.56 -28.1 22.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.789 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -18.08 61.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 41' ' ' LEU . 9.6 mt -74.05 -49.71 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.21 -13.77 1.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.462 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 111.138 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.811 0.338 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.744 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -51.74 -46.09 63.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -63.99 -36.23 83.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -63.28 -51.03 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.18 -51.38 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.41 -52.6 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.45 -51.94 60.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.92 -56.16 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.455 HD11 ' HB3' ' A' ' 31' ' ' MET . 2.0 tt -65.87 -29.79 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -62.0 -43.25 99.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.02 -65.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.878 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.828 0.346 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -85.65 169.56 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.71 HG11 ' CB ' ' A' ' 94' ' ' PHE . 49.2 t -52.65 -33.45 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.07 -67.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.94 -15.95 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -78.63 -37.61 41.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.585 HD12 HG12 ' A' ' 78' ' ' VAL . 5.1 mt -90.74 -38.16 13.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -66.91 -15.67 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -95.73 -17.59 21.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.733 HG22 ' HG2' ' A' ' 86' ' ' GLU . 80.9 mt -86.95 -77.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.733 ' HG2' HG22 ' A' ' 85' ' ' ILE . 62.9 mm-40 -139.75 -71.49 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -113.7 134.14 54.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.18 -4.09 55.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.448 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -56.22 -40.91 74.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.874 0.369 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 87' ' ' LEU . 6.3 m-85 -54.27 -24.58 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.037 0.446 . . . . 0.0 110.943 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.1 m -48.01 -32.5 6.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -64.28 -55.97 17.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.22 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.71 ' CB ' HG11 ' A' ' 78' ' ' VAL . 11.3 m-85 -58.84 -48.81 80.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.7 mt -60.07 -59.28 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.6 pt -56.44 -29.18 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.05 -25.45 62.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.457 ' O ' HD13 ' A' ' 104' ' ' LEU . . . 106.73 31.04 4.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.651 ' CD1' HD23 ' A' ' 105' ' ' LEU . 51.5 m-85 -98.58 34.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.963 0.411 . . . . 0.0 110.93 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 p -55.91 -29.32 59.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.0 t -101.96 129.34 48.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -48.09 81.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.78 -30.94 24.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 99' ' ' TYR . 1.3 tt -55.87 -36.93 68.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.651 HD23 ' CD1' ' A' ' 99' ' ' TYR . 12.9 mt -64.08 -23.8 67.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -5.89 58.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -104.74 26.48 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.2 pt -142.53 148.33 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.12 -175.31 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.518 ' HB2' HD21 ' A' ' 129' ' ' LEU . 36.6 tt0 -51.12 -58.19 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 112' ' ' GLU . 4.1 p -52.54 -42.94 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 116' ' ' VAL . 60.9 mm-40 -57.78 -46.11 85.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.884 HD11 HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -66.83 -37.8 85.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.1 mt -75.13 -19.82 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -97.26 -20.21 18.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 112' ' ' GLU . 97.0 t -103.06 -59.9 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 117' ' ' LEU . 3.5 mm? -78.28 -21.17 50.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt 64.2 41.92 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.884 HD12 HD11 ' A' ' 113' ' ' LEU . 25.4 mt -86.42 112.3 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.74 -33.46 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.502 HD23 ' CD2' ' A' ' 124' ' ' HIS . 12.2 tp -55.44 132.22 47.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.71 -58.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -46.65 -62.22 3.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.502 ' CD2' HD23 ' A' ' 121' ' ' LEU . 28.3 m170 -54.5 -59.04 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.57 -63.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.466 ' HG3' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -49.47 -38.78 31.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -52.71 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.523 HD12 HD21 ' A' ' 82' ' ' LEU . 20.9 mm -61.58 -57.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 110' ' ' GLU . 3.0 mp -51.47 -55.88 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.21 -44.62 71.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 t -54.96 -57.31 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.408 HD11 ' HB3' ' A' ' 105' ' ' LEU . 24.7 mt -60.55 -46.85 88.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.739 0.304 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.36 129.03 39.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -127.87 134.5 49.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.4 t -50.91 -41.87 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.97 -47.63 85.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.423 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -66.11 -56.76 9.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.661 ' NE1' HD11 ' A' ' 62' ' ' LEU . 43.2 t90 -52.56 -53.4 46.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.639 HD12 HD11 ' A' ' 11' ' ' ILE . 12.8 tp -58.03 -44.91 87.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.39 -32.9 71.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 t -71.79 -55.48 7.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.639 HD11 HD12 ' A' ' 8' ' ' LEU . 37.9 pt -65.02 -22.24 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.55 -107.97 0.24 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.511 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.8 mt -153.57 158.82 32.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.644 0.735 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 76.84 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -125.41 -36.16 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -101.25 0.77 38.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -52.45 -46.95 66.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -61.2 -48.35 81.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -57.58 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -54.05 -57.93 9.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.3 ttm -48.24 -58.77 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.47 -22.18 64.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.534 ' HA ' HD11 ' A' ' 121' ' ' LEU . 3.3 m120 -90.52 13.37 15.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.33 -22.16 31.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -80.29 57.4 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -95.62 -20.3 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.54 125.76 54.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.3 -23.16 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -58.92 -23.93 61.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.03 -25.37 61.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.562 ' HG3' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -119.86 26.52 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.68 -40.4 15.14 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -97.08 -33.58 11.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.27 104.17 7.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG11 ' HA ' ' A' ' 60' ' ' GLN . 34.8 m -51.58 147.07 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.668 ' HB2' HD13 ' A' ' 59' ' ' ILE . 51.9 ttm -52.11 152.47 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -111.49 157.38 20.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.523 ' HB2' HD11 ' A' ' 56' ' ' LEU . 1.4 t70 -56.07 -44.4 78.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -59.15 -39.54 82.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.86 -63.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.722 ' HA ' HD12 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -51.97 -31.0 27.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.2 tp -80.66 -32.33 36.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' HB3' HD11 ' A' ' 122' ' ' ILE . 27.7 tt0 -71.06 -33.76 70.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 41' ' ' LEU . 58.7 mt -54.57 -75.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.4 65.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 21.6 mm -73.27 153.37 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 0.0 111.155 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.9 tp -51.75 -68.27 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -159.35 179.17 9.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 54.4 m -58.02 156.16 9.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.11 -9.21 54.38 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -113.92 -30.01 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.29 -55.93 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -57.79 -39.9 78.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -55.87 -57.24 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.56 -39.12 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 38' ' ' ASP . 6.8 mt -62.12 -62.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -57.08 -36.44 70.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 -66.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.668 HD13 ' HB2' ' A' ' 36' ' ' MET . 5.7 tt -52.57 -28.22 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.108 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.46 ' HA ' HG11 ' A' ' 35' ' ' VAL . 51.6 mt-30 -81.73 -32.43 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -81.86 -17.16 48.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.661 HD11 ' NE1' ' A' ' 7' ' ' TRP . 30.6 mt -48.68 107.85 0.84 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.663 0.745 . . . . 0.0 110.91 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 62' ' ' LEU . 53.5 Cg_endo -69.81 78.06 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.243 . . . . 0.0 112.368 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.69 4.07 6.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.4 mmt -93.5 122.62 36.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -138.74 158.69 69.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.17 8.21 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.717 2.278 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.9 mm -69.04 -22.35 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.58 64.95 2.87 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -121.2 26.94 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.2 140.33 37.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.783 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -129.54 -161.27 10.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.12 156.02 49.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.756 0.313 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -143.54 70.76 17.55 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.711 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.42 14.53 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.759 2.306 . . . . 0.0 112.325 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.7 m -110.68 -27.05 9.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.215 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t -149.46 178.23 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.613 HG12 HD12 ' A' ' 82' ' ' LEU . 21.9 t -55.83 -35.46 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.85 -73.41 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -52.93 -32.48 45.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.574 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 14.9 t90 -60.63 -56.91 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.613 HD12 HG12 ' A' ' 78' ' ' VAL . 6.5 mt -65.93 -28.55 69.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -57.52 -28.84 63.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m -92.39 14.69 15.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 85' ' ' ILE . 5.9 mt -131.26 29.84 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 53.12 35.08 18.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.401 HD22 ' CD2' ' A' ' 90' ' ' TYR . 37.7 mt -144.49 140.81 29.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.81 -42.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -56.11 -33.16 64.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.506 ' OH ' HG23 ' A' ' 119' ' ' ILE . 2.9 m-85 -52.73 -29.14 25.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.2 m -48.16 -36.99 14.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -63.02 -62.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -53.65 -50.07 66.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.532 ' HB3' HG11 ' A' ' 78' ' ' VAL . 10.6 m-85 -54.92 -47.39 74.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.9 mt -61.62 -61.28 2.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.9 pt -56.02 -23.36 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -76.11 -26.25 56.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.68 12.6 11.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.689 ' CD1' HD23 ' A' ' 105' ' ' LEU . 83.0 m-85 -87.04 97.65 10.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 110.968 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.72 -36.03 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.539 ' H ' HD12 ' A' ' 104' ' ' LEU . 74.5 m -111.18 138.06 48.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.1 ttm -51.77 -42.43 62.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -50.16 -39.7 44.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.539 HD12 ' H ' ' A' ' 101' ' ' SER . 90.3 mt -58.6 -35.75 72.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.689 HD23 ' CD1' ' A' ' 99' ' ' TYR . 16.0 mt -64.5 -20.08 65.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -99.91 11.39 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -112.38 22.21 14.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.468 HD13 ' OH ' ' A' ' 99' ' ' TYR . 32.1 pt -131.24 158.01 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -106.21 177.02 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -50.86 -62.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.8 p -51.47 -44.0 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.203 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 111' ' ' VAL . 70.0 mm-40 -59.24 -35.44 73.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.712 HD11 HD12 ' A' ' 119' ' ' ILE . 9.6 tp -71.4 -50.71 29.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 51.0 mt -70.38 -16.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -94.43 -31.81 13.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 64.1 t -92.71 -61.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.663 ' HB2' HD12 ' A' ' 113' ' ' LEU . 4.0 mm? -70.7 -27.4 63.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.53 42.57 27.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.712 HD12 HD11 ' A' ' 113' ' ' LEU . 96.2 mt -69.32 -57.35 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 51.47 46.64 26.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 23' ' ' ASN . 13.2 tp -149.31 116.6 6.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.402 HD11 ' HB3' ' A' ' 43' ' ' GLU . 68.0 mt -50.74 -49.21 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.055 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.45 -73.92 0.33 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -52.02 -34.83 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -63.5 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -41.12 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 55.0 mmm-85 -54.42 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.574 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 53.7 mt -62.02 -46.68 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.5 tp -51.61 -42.43 61.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.01 -37.89 64.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 p -59.26 -40.1 84.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.3 mt -80.83 -48.5 12.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 85.41 51.69 3.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.537 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -52.57 -58.3 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.86 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.748 0.309 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -95.06 130.55 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.23 131.78 54.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.14 -47.18 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.48 -36.71 85.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.91 -52.08 33.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.344 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.1 t90 -62.25 -48.66 78.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.73 -49.26 78.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.39 -34.99 77.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.8 t -65.83 -46.99 76.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.447 HG21 ' HB1' ' A' ' 58' ' ' ALA . 40.1 pt -75.19 -24.74 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.2 -107.02 0.27 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.6 mt -154.61 158.42 32.25 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.599 0.714 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 73.47 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -119.52 -23.07 6.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -118.41 16.07 13.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.949 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -63.14 -52.69 61.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -54.74 -51.37 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.27 -55.57 29.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -60.28 3.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.3 ttt -51.21 -56.77 11.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.54 -22.86 47.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -93.35 18.62 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.39 -23.71 26.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -77.86 64.88 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -95.9 -21.68 17.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -132.93 128.75 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.1 t -54.96 -25.84 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -59.27 -21.99 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.86 -19.52 51.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 36.3 mtt -85.2 4.94 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.19 124.28 27.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t 61.67 38.33 15.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -174.57 174.73 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 m -152.68 134.7 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.4 mtp -51.98 157.24 1.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -144.49 177.11 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.49 -40.4 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.813 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -52.87 -63.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.9 -45.71 78.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.663 HD13 HD13 ' A' ' 46' ' ' ILE . 1.2 mm? -51.92 -55.74 18.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.828 HD21 HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -68.82 -22.53 64.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -76.29 -27.46 56.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.7 mt -81.26 -71.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.58 46.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.663 HD13 HD13 ' A' ' 41' ' ' LEU . 3.6 mp -93.82 -26.49 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 111.166 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.828 HD22 HD21 ' A' ' 42' ' ' LEU . 23.2 tp -63.26 -15.85 58.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -50.2 -39.76 45.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.04 -65.92 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.98 64.11 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -126.81 8.63 6.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.798 0.333 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.685 HH11 HD23 ' A' ' 42' ' ' LEU . 14.7 ttp180 -57.22 -61.03 2.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -50.16 -47.69 54.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.0 mmt-85 -54.06 -65.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.2 mt -52.58 -41.46 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.59 -54.13 49.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -59.3 -40.08 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -64.76 -62.65 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -55.76 -29.14 24.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.095 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -76.01 -37.02 58.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -78.34 -22.3 48.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 59' ' ' ILE . 24.5 mt -51.49 158.37 1.49 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.699 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -22.47 31.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.37 41.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.2 mmm -151.01 167.51 27.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.78 159.83 2.43 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.593 0.711 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -13.1 34.1 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.662 2.242 . . . . 0.0 112.386 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.7 mm -51.77 -38.73 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.3 -103.26 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.2 t60 63.13 43.23 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -111.72 158.02 19.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.65 -122.69 5.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.526 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.23 117.4 26.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.335 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -135.82 72.04 62.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.733 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 112.47 3.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.62 2.213 . . . . 0.0 112.323 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.0 p -148.87 174.99 11.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.7 m -82.91 165.8 19.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.667 HG11 ' HB3' ' A' ' 94' ' ' PHE . 48.1 t -51.87 -44.79 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.33 -61.84 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -56.83 -23.89 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.413 ' CZ3' HD13 ' A' ' 105' ' ' LEU . 4.9 t90 -72.98 -63.08 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.44 -24.31 67.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -56.5 -31.73 64.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -93.65 18.52 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 85' ' ' ILE . 7.0 mt -133.54 26.02 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 58.53 21.29 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 87' ' ' LEU . 27.0 mt -125.64 125.97 43.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.31 -40.24 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -52.69 -40.94 63.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.714 ' OH ' HG23 ' A' ' 119' ' ' ILE . 11.4 m-85 -54.01 -30.92 49.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.7 m -50.01 -34.5 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -64.43 -57.87 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.54 88.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.667 ' HB3' HG11 ' A' ' 78' ' ' VAL . 7.8 m-85 -56.82 -46.24 81.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.14 -62.03 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 pt -52.86 -29.11 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -69.35 -33.9 73.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.01 13.73 4.86 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.423 ' CE2' HD21 ' A' ' 117' ' ' LEU . 73.9 m-85 -86.11 98.55 10.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.93 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.6 p -111.51 -39.53 4.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.167 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.55 ' H ' HD12 ' A' ' 104' ' ' LEU . 50.1 m -103.5 122.35 44.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 23.3 ttm -51.99 -38.44 56.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -50.13 -36.66 30.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.55 HD12 ' H ' ' A' ' 101' ' ' SER . 14.4 mt -57.61 -38.13 74.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.51 HD12 HD21 ' A' ' 132' ' ' LEU . 20.5 mt -57.62 -22.72 47.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -68.96 -31.06 69.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -93.8 19.28 9.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.8 mm -101.65 130.67 50.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.14 -179.57 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -61.4 -60.93 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.95 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 p -50.76 -42.91 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 116' ' ' VAL . 54.3 mm-40 -64.6 -38.83 92.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.556 HD11 HD13 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -65.5 -43.73 89.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.508 ' N ' HD23 ' A' ' 113' ' ' LEU . 37.7 mt -77.38 -21.98 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -87.83 -22.67 24.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 112' ' ' GLU . 89.6 t -104.79 -60.77 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.6 mm? -80.87 -41.94 22.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.982 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm 64.3 37.51 8.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.714 HG23 ' OH ' ' A' ' 90' ' ' TYR . 2.6 mp -52.15 -49.73 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 55.07 40.85 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 tp -147.3 124.25 11.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.4 ' O ' ' HG3' ' A' ' 125' ' ' ARG . 61.6 mt -64.48 -42.65 95.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -58.38 -55.96 27.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -64.67 -58.23 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -49.16 -34.89 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -45.18 60.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -55.97 -49.58 73.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.2 pt -71.23 -38.19 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.05 -49.85 75.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.23 -37.38 72.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 t -62.63 -46.22 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.51 HD21 HD12 ' A' ' 105' ' ' LEU . 62.4 mt -71.87 -55.82 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 137.6 150.53 5.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -142.37 171.58 13.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -156.32 162.09 40.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -141.18 132.25 26.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.575 ' CG1' HD22 ' A' ' 20' ' ' LEU . 96.3 t -55.94 -36.38 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.59 -58.75 12.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -61.89 -51.45 68.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.4 ' CZ2' HD13 ' A' ' 11' ' ' ILE . 63.0 t90 -53.61 -61.39 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.58 HD12 HD11 ' A' ' 11' ' ' ILE . 7.8 tp -51.89 -44.42 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -59.5 -36.23 75.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 t -69.86 -57.52 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.58 HD11 HD12 ' A' ' 8' ' ' LEU . 29.0 pt -60.0 -25.69 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.173 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.85 -104.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.0 mt -155.87 156.95 31.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 72.74 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.729 2.286 . . . . 0.0 112.3 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -124.4 -33.59 3.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -101.15 -3.63 28.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.24 -53.21 37.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -50.28 -62.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.21 -41.96 63.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.575 HD22 ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -54.61 -68.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.5 ptp -55.35 -42.83 74.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.81 68.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -95.92 19.74 11.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.53 -21.84 36.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -77.87 70.43 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.98 -19.83 13.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -115.39 120.53 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.439 HG13 ' SD ' ' A' ' 31' ' ' MET . 21.2 t -50.8 -27.78 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -52.34 -41.57 63.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' O ' HG11 ' A' ' 35' ' ' VAL . . . -54.28 -23.97 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.439 ' SD ' HG13 ' A' ' 28' ' ' VAL . 41.0 mtt -74.44 -33.47 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.14 -122.58 12.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 m -109.47 -59.45 1.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.829 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -126.35 25.86 6.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.494 HG11 ' O ' ' A' ' 30' ' ' ALA . 22.4 t -64.16 -67.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.472 ' HG2' HD13 ' A' ' 59' ' ' ILE . 22.0 tpp -51.24 107.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -107.09 169.84 8.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.617 ' HA ' HD23 ' A' ' 41' ' ' LEU . 3.8 p30 -57.59 -44.47 85.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -55.22 -39.27 69.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.88 -59.34 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.779 HD11 ' HG2' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -52.54 -27.75 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.642 HD23 ' NH1' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -85.66 -35.54 20.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB3' HD11 ' A' ' 122' ' ' ILE . 3.7 tt0 -67.04 -31.92 72.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 41' ' ' LEU . 46.5 mt -56.75 -74.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.82 38.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.536 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.2 mm -80.96 145.69 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.17 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -75.34 178.03 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.4 p30 -97.33 27.68 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.4 m -66.51 -65.1 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.27 47.44 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -110.89 -12.97 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.779 ' HG2' HD11 ' A' ' 41' ' ' LEU . 14.7 mtp85 -51.61 -60.83 2.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -54.58 -48.23 72.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -51.45 -55.92 16.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.607 ' O ' HD12 ' A' ' 59' ' ' ILE . 58.3 mt -58.09 -44.22 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 56' ' ' LEU . 6.3 mt -58.0 -67.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -50.14 -36.34 29.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -55.75 28.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -59.23 -35.68 59.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -74.53 -27.36 60.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 61' ' ' LEU . 3.7 tt -89.58 -16.99 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 59' ' ' ILE . 16.1 mt -50.44 148.36 6.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -170.18 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.727 2.284 . . . . 0.0 112.371 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 51.33 57.39 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -72.35 -12.06 60.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 63.12 71.09 0.68 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.633 0.73 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -30.57 22.39 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.718 2.279 . . . . 0.0 112.381 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.484 HD12 ' N ' ' A' ' 69' ' ' GLY . 2.7 pp -66.28 -30.88 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.484 ' N ' HD12 ' A' ' 68' ' ' ILE . . . 177.55 169.76 39.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.486 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -98.01 -49.1 4.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.32 . . . . 0.0 110.769 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -138.7 176.96 8.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 167.9 101.0 0.15 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.395 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -114.76 178.04 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.358 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -134.88 160.8 67.07 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.586 0.708 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 105.82 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.357 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 p -153.27 -178.17 6.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -78.77 167.02 21.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.508 HG11 ' CB ' ' A' ' 94' ' ' PHE . 24.1 t -53.46 -39.03 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.96 -65.26 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.56 -45.39 63.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.548 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 12.9 t90 -56.78 -63.28 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.2 mt -57.31 -23.41 48.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.46 -21.65 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -102.67 -14.64 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.461 HD12 ' CB ' ' A' ' 131' ' ' SER . 9.4 mm -88.02 8.49 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.79 13.03 9.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.411 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.4 mm? -109.95 179.13 4.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.72 -52.54 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.443 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -50.83 -37.31 42.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' A' ' 87' ' ' LEU . 26.1 m-85 -53.27 -30.79 40.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.434 HG22 ' CD1' ' A' ' 95' ' ' LEU . 38.1 m -46.73 -34.87 5.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.637 ' O ' HG23 ' A' ' 96' ' ' ILE . 27.7 ttpt -64.74 -53.36 48.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.66 -48.16 75.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.508 ' CB ' HG11 ' A' ' 78' ' ' VAL . 20.5 m-85 -57.92 -39.94 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.434 ' CD1' HG22 ' A' ' 91' ' ' THR . 26.1 mt -69.54 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 92' ' ' LYS . 24.6 pt -51.52 -30.44 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.78 -30.13 45.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.22 49.96 1.51 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.666 ' CD1' HD22 ' A' ' 104' ' ' LEU . 20.1 m-85 -101.55 26.23 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.042 0.449 . . . . 0.0 110.987 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -63.04 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 t -51.54 128.36 22.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 12.3 tpt -60.72 -56.31 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -49.49 -29.99 7.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.666 HD22 ' CD1' ' A' ' 99' ' ' TYR . 2.3 tt -52.01 -43.3 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 99' ' ' TYR . 49.1 mt -62.79 -27.63 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -96.62 5.2 51.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -103.81 13.56 32.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.7 pt -125.96 -177.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -131.66 177.41 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.43 -63.76 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.809 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.5 p -48.65 -44.82 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.7 tp10 -54.86 -48.36 73.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.919 HD11 HD12 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -63.67 -37.56 87.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.0 mt -75.08 -19.73 16.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.28 -16.73 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.538 HG12 HD22 ' A' ' 117' ' ' LEU . 91.6 t -105.01 -60.75 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.628 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.8 mm? -84.86 -24.08 28.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.994 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 61.69 49.9 4.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.919 HD12 HD11 ' A' ' 113' ' ' LEU . 69.4 mt -88.16 94.25 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -91.02 -35.1 14.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.11 118.54 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.436 HD11 ' HB3' ' A' ' 43' ' ' GLU . 73.4 mt -51.75 -52.21 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.09 -71.5 0.61 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -51.54 -38.13 52.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -61.37 -72.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.68 -42.48 34.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -54.18 -63.66 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.548 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 69.0 mt -59.5 -51.72 69.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 20.2 tp -50.78 -39.21 51.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.65 -48.13 60.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.035 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.461 ' CB ' HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -55.77 -42.48 75.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.77 -55.69 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 139.63 141.16 4.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -88.99 159.49 17.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.783 0.325 . . . . 0.0 110.822 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -161.72 175.95 11.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.12 136.58 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 25' ' ' PHE . 97.4 t -49.85 -40.91 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.27 -42.18 97.18 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -69.61 -53.92 16.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.816 0.341 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.721 ' CD1' HD21 ' A' ' 62' ' ' LEU . 56.2 t90 -57.39 -45.75 84.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 11' ' ' ILE . 12.6 tp -63.38 -48.55 77.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -59.36 -33.9 71.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.0 t -70.37 -53.63 15.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.554 HD11 HD12 ' A' ' 8' ' ' LEU . 32.7 pt -64.85 -24.76 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.14 -103.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 mt -151.86 159.07 33.64 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 80.38 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.723 2.282 . . . . 0.0 112.266 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -129.02 -38.55 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.407 ' H ' HD21 ' A' ' 8' ' ' LEU . 2.1 m-85 -90.18 -4.98 56.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -52.3 -46.92 66.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -61.78 -50.88 70.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -60.29 4.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -50.04 -56.09 12.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.8 mtp -51.14 -54.15 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' HD11 ' A' ' 121' ' ' LEU . . . -61.98 -22.35 65.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.072 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -90.64 13.49 15.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.86 -18.65 52.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.46 ' O ' HG21 ' A' ' 4' ' ' VAL . 2.4 m-85 -81.29 58.35 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -91.35 -21.79 20.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -120.58 125.42 47.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.7 t -51.69 -38.21 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -57.64 -32.58 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.78 -25.95 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.4 mtt -52.52 -36.5 55.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.12 -88.66 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -52.09 170.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -80.23 -17.77 51.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 60' ' ' GLN . 6.0 t -143.69 143.04 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.55 ' HB2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -75.14 145.27 42.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -86.67 140.96 29.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -52.06 -41.4 62.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -52.63 -51.36 60.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' HB3' HG21 ' A' ' 122' ' ' ILE . 3.3 m-20 -64.21 -49.97 69.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.824 HD21 ' HA ' ' A' ' 52' ' ' ARG . 11.9 tp -50.0 -50.74 46.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.4 tp -70.16 -31.82 69.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' HG2' HD11 ' A' ' 122' ' ' ILE . 9.5 tt0 -68.27 -30.77 69.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.464 HD13 HD12 ' A' ' 122' ' ' ILE . 9.8 mm -51.71 -59.97 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.92 -13.71 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.553 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.637 HD13 HD12 ' A' ' 55' ' ' ILE . 18.9 mt -50.28 119.89 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 111.199 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.8 mt -56.36 179.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -95.09 24.4 4.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.9 m -56.09 -53.76 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.26 41.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.443 ' HB2' HG21 ' A' ' 46' ' ' ILE . 3.2 m-70 -112.06 -18.56 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.824 ' HA ' HD21 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -49.96 -61.86 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.25 -36.22 81.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -58.83 -62.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.637 HD12 HD13 ' A' ' 46' ' ' ILE . 65.5 mt -57.58 -49.29 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' HG ' HD22 ' A' ' 41' ' ' LEU . 6.9 mt -54.9 -51.48 65.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -56.84 -45.01 82.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.65 -62.83 1.34 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 36' ' ' MET . 2.5 tt -52.33 -27.8 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.606 ' HA ' HG22 ' A' ' 35' ' ' VAL . 4.0 tt0 -78.13 -39.52 40.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.0 -5.96 59.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 7' ' ' TRP . 7.6 mt -46.67 -59.69 4.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.71 . . . . 0.0 110.915 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 54.2 Cg_endo -69.76 94.53 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.644 2.229 . . . . 0.0 112.413 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -76.93 -59.85 2.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.9 mtt -144.81 166.61 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 58.93 72.43 0.83 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.522 0.677 . . . . 0.0 110.831 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 89.89 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.576 2.184 . . . . 0.0 112.376 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.2 tt -67.41 137.93 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 174.88 65.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -110.04 27.94 9.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.31 130.81 42.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.04 130.75 5.14 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.64 177.58 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -158.03 160.45 29.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 87.39 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.682 2.254 . . . . 0.0 112.316 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.1 p -136.2 173.15 12.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m -79.94 170.92 15.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.465 HG11 ' CB ' ' A' ' 94' ' ' PHE . 21.8 t -57.76 -36.23 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.15 -69.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -54.34 -32.88 57.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.54 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 13.5 t90 -61.23 -52.17 65.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.83 -24.6 61.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -57.15 -27.3 61.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -98.32 18.14 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 85' ' ' ILE . 7.8 mt -133.23 7.56 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 69.27 17.98 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.1 mm? -113.63 143.72 44.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -145.91 -46.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -51.43 -36.91 45.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.545 ' CD2' HD12 ' A' ' 87' ' ' LEU . 11.7 m-85 -53.87 -28.91 38.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.3 m -49.25 -34.84 16.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.182 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -65.02 -58.81 5.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.18 -49.13 78.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.465 ' CB ' HG11 ' A' ' 78' ' ' VAL . 12.9 m-85 -56.13 -43.82 78.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.07 -59.91 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.0 pt -57.69 -28.13 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -74.07 -18.94 60.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.35 40.56 6.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.441 ' CE2' HD21 ' A' ' 117' ' ' LEU . 25.1 m-85 -95.87 25.83 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.88 0.372 . . . . 0.0 110.873 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.5 p -51.23 -35.22 35.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.435 ' HB2' HD12 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -97.95 121.68 40.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.491 ' HG3' HD12 ' A' ' 105' ' ' LEU . 25.9 ttm -56.47 -24.74 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -49.81 -43.4 48.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 101' ' ' SER . 3.8 mp -59.32 -33.33 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.491 HD12 ' HG3' ' A' ' 102' ' ' MET . 34.6 mt -62.9 -20.78 65.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -112.1 16.36 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -130.14 24.97 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.7 pt -133.68 151.91 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -107.29 -178.24 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.3 -56.29 19.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.8 p -50.91 -43.52 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 116' ' ' VAL . 4.4 mp0 -63.01 -40.51 97.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.844 HD11 HD12 ' A' ' 119' ' ' ILE . 34.4 tp -64.1 -41.74 97.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 29.1 mt -79.82 -19.46 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -91.32 -19.05 23.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 112' ' ' GLU . 82.3 t -109.51 -57.8 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.441 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.5 mm? -85.32 -30.96 23.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.1 mttp 64.64 51.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.844 HD12 HD11 ' A' ' 113' ' ' LEU . 56.6 mt -88.59 92.77 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -85.87 -28.01 24.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 22' ' ' ALA . 2.6 tp -60.82 124.07 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.464 HD12 HD13 ' A' ' 44' ' ' ILE . 52.2 mt -58.02 -51.9 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -49.96 -70.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -50.03 -40.25 44.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.834 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.759 ' HD3' HD12 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -59.04 -66.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -53.64 -46.48 70.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -49.87 -63.5 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.54 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 64.1 mt -58.31 -46.57 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.759 HD12 ' HD3' ' A' ' 125' ' ' ARG . 7.6 mt -51.74 -43.86 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.18 -32.38 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.64 -41.93 99.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.09 -41.39 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 155.89 141.35 3.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.56 120.12 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.915 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.764 0.316 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.523 HE21 HG11 ' A' ' 28' ' ' VAL . 3.6 tt0 -107.17 146.97 30.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -112.96 133.06 55.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.4 t -54.33 -32.51 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.39 -57.96 13.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -44.33 94.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.453 ' CE2' HD13 ' A' ' 11' ' ' ILE . 73.8 t90 -62.68 -55.79 23.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.426 ' CD2' HD13 ' A' ' 20' ' ' LEU . 18.9 tp -58.26 -30.94 66.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -79.67 -28.31 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.976 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -80.7 -27.14 37.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.453 HD13 ' CE2' ' A' ' 7' ' ' TRP . 23.2 pt -97.26 -31.08 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.97 -109.93 0.97 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -152.87 159.63 32.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.554 0.692 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.9 19.68 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.746 2.297 . . . . 0.0 112.325 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -63.12 -16.1 58.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -113.96 -8.94 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -51.59 -58.15 7.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -51.4 -40.33 59.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -58.0 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 8' ' ' LEU . 1.0 OUTLIER -50.76 -60.8 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -52.5 34.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.35 -24.47 65.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -93.08 18.14 9.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.85 -21.58 35.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.38 72.9 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.53 -23.1 11.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -122.62 125.01 44.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.523 HG11 HE21 ' A' ' 2' ' ' GLN . 21.4 t -57.98 -27.34 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -58.4 -26.82 63.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.13 -25.37 45.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.07 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.521 ' CB ' HD11 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -103.71 29.33 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.85 -73.75 0.47 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.423 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.7 m -75.75 -52.32 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.369 . . . . 0.0 110.806 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -71.23 -171.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.0 p -156.68 123.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.2 ttm -51.87 103.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -88.33 -179.42 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -55.72 -40.63 72.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -51.85 -60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.44 -43.86 93.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 41' ' ' LEU . 8.9 tp -50.63 -44.43 57.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 tp -78.75 -29.55 45.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HB3' HD11 ' A' ' 122' ' ' ILE . 2.0 mt-10 -62.98 -37.14 85.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.0 mm -61.5 -73.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.04 46.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.446 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 mp -112.76 106.18 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.7 mt -117.89 104.08 10.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -161.77 -176.41 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -122.59 90.13 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.93 -21.49 3.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -81.24 -37.84 27.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -52.65 48.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -64.92 -31.74 73.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -61.52 -61.65 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 59' ' ' ILE . 62.6 mt -62.29 -44.58 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.03 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.4 mt -53.8 -65.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.448 ' HG2' HD12 ' A' ' 61' ' ' LEU . 33.0 tt0 -56.29 -37.45 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.34 -71.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.831 HD12 HD12 ' A' ' 62' ' ' LEU . 3.0 tp -53.21 -27.99 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -74.71 -33.8 62.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.448 HD12 ' HG2' ' A' ' 57' ' ' GLN . 86.6 mt -91.01 -11.48 38.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.831 HD12 HD12 ' A' ' 59' ' ' ILE . 6.8 mt -50.12 -60.1 5.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 53.3 Cg_endo -69.78 -21.62 33.13 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.694 2.262 . . . . 0.0 112.309 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -66.31 -28.37 68.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.5 ttm -108.73 -25.99 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -139.23 73.35 37.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -47.09 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.738 2.292 . . . . 0.0 112.348 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 tt 39.73 38.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.18 150.16 51.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -148.89 153.96 38.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -123.3 170.12 10.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.43 147.05 5.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.551 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.33 94.03 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 111.072 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -127.77 159.36 66.67 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 117.38 5.05 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -150.07 163.36 38.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -112.37 178.97 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 99' ' ' TYR . 25.5 t -53.53 -36.39 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.74 -69.95 0.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -51.66 -34.01 36.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.587 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 13.6 t90 -63.63 -59.3 4.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.68 -34.06 73.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -52.98 -44.35 67.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -64.95 -22.71 67.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.426 HD11 ' OG ' ' A' ' 131' ' ' SER . 6.1 mt -95.5 30.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 51.45 30.48 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.497 HD13 ' CD2' ' A' ' 90' ' ' TYR . 66.3 mt -130.33 128.88 42.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.32 -46.11 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.542 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.82 -39.04 65.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.497 ' CD2' HD13 ' A' ' 87' ' ' LEU . 3.8 m-85 -50.57 -31.25 15.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.414 HG22 HD12 ' A' ' 95' ' ' LEU . 29.1 m -50.35 -41.04 50.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.185 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -51.11 71.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.06 78.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -55.47 -46.67 76.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.414 HD12 HG22 ' A' ' 91' ' ' THR . 0.2 OUTLIER -59.28 -59.75 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.0 pt -57.7 -25.13 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -81.34 -17.7 48.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.23 37.5 5.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.533 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.622 ' CZ ' HD21 ' A' ' 117' ' ' LEU . 37.5 m-85 -96.09 34.53 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.96 0.41 . . . . 0.0 110.94 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.48 -67.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.158 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.95 159.11 9.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.457 ' HG3' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -99.21 -37.13 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -57.38 -34.95 69.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.661 HD12 ' N ' ' A' ' 105' ' ' LEU . 3.7 pp -60.02 -24.83 64.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.661 ' N ' HD12 ' A' ' 104' ' ' LEU . 87.3 mt -61.4 -18.0 56.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -101.19 20.57 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -28.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.4 pt -81.48 152.53 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -108.67 178.91 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -62.49 1.6 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.5 p -50.52 -45.47 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.47 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.5 mm-40 -55.28 -43.79 75.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.924 HD12 HD23 ' A' ' 117' ' ' LEU . 13.6 tp -67.94 -36.3 79.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.5 mt -77.41 -17.79 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.84 -19.45 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 112' ' ' GLU . 92.2 t -103.62 -56.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.924 HD23 HD12 ' A' ' 113' ' ' LEU . 3.4 mm? -84.26 -19.24 34.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 63.94 33.79 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.82 HD12 HD11 ' A' ' 113' ' ' LEU . 83.6 mt -82.18 93.08 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -98.18 -29.78 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.539 HD23 ' CD2' ' A' ' 124' ' ' HIS . 10.1 tp -51.97 129.5 27.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 43' ' ' GLU . 9.4 mm -59.22 -55.15 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.08 -58.45 8.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.539 ' CD2' HD23 ' A' ' 121' ' ' LEU . 31.7 m170 -59.59 -45.96 90.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.31 . . . . 0.0 110.819 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.54 -67.63 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.37 -42.75 61.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -51.66 -61.74 2.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.587 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 60.4 mt -61.77 -44.38 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 tt -51.69 -40.99 61.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.45 -33.18 42.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.111 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.426 ' OG ' HD11 ' A' ' 85' ' ' ILE . 36.2 t -65.07 -31.5 72.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.08 -41.27 8.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 140.11 134.1 3.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.98 -26.39 17.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.874 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.785 0.326 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -142.66 158.58 43.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.71 123.76 48.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 89.8 t -52.52 -38.83 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.146 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.36 -38.34 93.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -68.15 -48.18 66.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.906 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.403 ' O ' HG23 ' A' ' 11' ' ' ILE . 62.9 t90 -63.88 -46.6 84.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.422 HD12 HD11 ' A' ' 11' ' ' ILE . 11.9 tp -63.25 -41.83 99.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -66.56 -40.13 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -64.81 -47.17 79.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.422 HD11 HD12 ' A' ' 8' ' ' LEU . 25.5 pt -72.86 -26.81 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.21 -104.24 0.22 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.5 mt -155.12 156.44 31.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 79.19 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.383 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -125.53 -37.95 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -99.4 19.12 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.2 -59.18 4.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -54.21 -46.3 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -57.15 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.51 -59.48 4.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -53.71 26.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -23.36 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.043 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.506 ' HA ' HD11 ' A' ' 121' ' ' LEU . 2.7 m-80 -91.67 14.53 14.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 -21.07 43.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -78.29 67.37 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.93 -23.35 16.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.801 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -128.18 122.18 31.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.6 t -52.09 -29.12 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -57.01 -25.32 58.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.24 -29.99 59.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ptp -108.06 25.65 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.54 -64.12 3.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.1 m -75.38 -35.3 61.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 0.0 110.871 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -118.45 94.43 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.5 m -56.43 147.46 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.667 ' O ' HG21 ' A' ' 59' ' ' ILE . 5.9 ttm -57.47 156.23 8.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -129.85 165.83 21.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -54.47 -40.01 68.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -51.92 -59.17 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.633 ' HB3' HG21 ' A' ' 122' ' ' ILE . 6.3 m-20 -61.52 -43.07 99.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.813 HD21 ' HA ' ' A' ' 52' ' ' ARG . 9.0 tp -50.75 -44.01 58.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.7 tp -85.86 -21.3 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.78 -33.25 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.2 mt -66.24 -74.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.056 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.537 ' H ' HD12 ' A' ' 46' ' ' ILE . . . 170.16 57.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.537 HD12 ' H ' ' A' ' 45' ' ' GLY . 5.3 mp -134.69 107.31 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 mt -57.07 167.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -86.89 171.65 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t 57.62 37.85 27.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.51 -90.4 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -106.5 -6.96 17.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.813 ' HA ' HD21 ' A' ' 41' ' ' LEU . 27.9 mtp180 -51.7 -58.73 5.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -55.91 -40.97 73.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -56.6 -68.75 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.0 mt -51.18 -46.7 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.1 mt -54.04 -56.98 12.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -54.59 -38.98 67.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.36 -49.02 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.667 HG21 ' O ' ' A' ' 36' ' ' MET . 29.3 mm -58.08 -39.14 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -79.14 -27.16 42.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 tp -81.19 -20.49 41.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.9 mt -49.5 108.14 0.92 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.68 0.753 . . . . 0.0 110.936 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 79.49 0.94 Allowed 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -128.39 137.5 51.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.7 mtp -123.43 172.84 8.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -117.44 68.93 5.65 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.591 0.71 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -35.21 12.94 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.8 pt -144.69 140.13 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -166.42 143.31 8.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.539 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -69.66 123.64 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -110.87 -32.95 6.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -78.17 175.14 54.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -134.47 124.65 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.345 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -98.26 160.7 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.605 0.717 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 78.67 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.317 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 43.3 p -118.49 160.14 22.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -99.52 170.25 8.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.601 HG11 ' HB3' ' A' ' 94' ' ' PHE . 100.0 t -51.47 -36.16 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.02 -58.19 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -51.68 -33.89 36.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.539 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 2.3 t90 -72.82 -58.89 3.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.483 HD22 ' HB2' ' A' ' 87' ' ' LEU . 15.4 mt -57.97 -20.17 36.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -53.53 -31.28 45.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.833 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 t -90.07 -17.2 28.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.6 mm -92.34 18.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 40.84 38.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.674 HD22 ' CD2' ' A' ' 90' ' ' TYR . 17.3 mt -129.05 45.15 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -54.32 -38.71 62.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -52.04 -45.31 64.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.674 ' CD2' HD22 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -53.86 -30.78 47.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.6 m -48.71 -34.46 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.127 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.465 ' O ' HG23 ' A' ' 96' ' ' ILE . 3.9 tppp? -64.42 -54.25 35.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.46 83.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.601 ' HB3' HG11 ' A' ' 78' ' ' VAL . 12.5 m-85 -56.11 -46.04 79.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.7 mt -63.13 -62.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 92' ' ' LYS . 22.4 pt -53.33 -30.5 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -69.24 -32.62 71.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.79 11.32 7.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.683 ' CD1' HD23 ' A' ' 105' ' ' LEU . 95.0 m-85 -83.95 98.03 9.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.001 0.429 . . . . 0.0 110.899 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.89 -58.25 2.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.8 m -105.0 147.91 27.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -33.31 32.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -41.72 60.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 104' ' ' LEU . 12.2 mt -60.18 -31.53 70.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.683 HD23 ' CD1' ' A' ' 99' ' ' TYR . 22.4 mt -65.09 -19.17 65.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.951 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -95.43 -1.84 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -98.87 23.63 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.3 pt -136.75 153.12 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.422 ' HB3' ' HG3' ' A' ' 112' ' ' GLU . . . -98.51 179.22 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -51.03 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.8 p -51.68 -43.25 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.422 ' HG3' ' HB3' ' A' ' 109' ' ' ALA . 46.5 mt-10 -55.2 -39.61 69.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 117' ' ' LEU . 6.0 tp -75.46 -53.3 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.955 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.41 -17.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -97.27 -56.21 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.57 -55.94 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.663 ' HB2' HD12 ' A' ' 113' ' ' LEU . 4.1 mm? -77.26 -16.93 58.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.8 mttm 53.52 44.84 29.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.656 HG23 ' OH ' ' A' ' 90' ' ' TYR . 33.4 mt -81.23 -70.32 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 29.7 t30 57.28 34.81 25.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.573 HD23 ' CD2' ' A' ' 124' ' ' HIS . 11.5 tp -128.99 134.42 48.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.633 HG21 ' HB3' ' A' ' 40' ' ' ASP . 44.9 mt -68.03 -50.88 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -54.12 -47.74 66.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.573 ' CD2' HD23 ' A' ' 121' ' ' LEU . 42.6 m170 -68.16 -59.93 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.64 ' HD3' HD12 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -51.96 -27.84 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.6 tptt -75.08 -61.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -54.74 -34.72 62.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.539 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 75.8 mt -73.77 -52.98 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.64 HD12 ' HD3' ' A' ' 125' ' ' ARG . 28.3 mt -60.12 -34.78 73.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.26 -51.04 19.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.7 p -56.49 -42.52 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.403 HD11 HD13 ' A' ' 105' ' ' LEU . 39.4 mt -75.15 -42.76 55.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 113.72 164.93 15.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.55 161.89 13.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.788 0.327 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.809 0.338 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.556 ' HB3' HG11 ' A' ' 28' ' ' VAL . 4.9 tp60 -73.15 171.75 12.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.33 147.38 47.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 t -59.13 -47.02 91.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.04 -52.58 50.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.497 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -62.83 -54.66 35.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -55.43 -61.18 2.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.481 HD12 HD11 ' A' ' 11' ' ' ILE . 9.4 tp -51.23 -41.32 60.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.85 -33.97 77.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -73.37 -52.47 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.775 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.593 HG21 ' HB1' ' A' ' 58' ' ' ALA . 47.9 pt -68.03 -24.79 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.56 -113.4 0.48 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.446 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.92 160.4 31.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 89.18 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -142.44 -42.38 0.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.563 ' CE2' HG23 ' A' ' 46' ' ' ILE . 61.7 m-85 -92.94 11.96 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -62.61 -45.87 90.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -59.02 -50.51 73.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -56.0 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.11 -63.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.3 ttt -51.86 -49.64 62.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.28 -25.82 64.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.647 ' CG ' HG23 ' A' ' 44' ' ' ILE . 4.8 m-80 -93.17 20.06 7.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.99 -14.99 55.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -81.15 54.11 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -81.98 -26.49 33.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.49 112.18 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 2' ' ' GLN . 7.2 p -51.42 -32.72 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -56.01 -23.21 31.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.73 -29.99 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.1 mtt -64.34 -38.88 92.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.32 -124.12 17.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.5 p -73.5 -34.49 65.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.354 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -65.15 177.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG13 HG13 ' A' ' 59' ' ' ILE . 20.9 t -145.35 128.74 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.72 123.51 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -111.88 -176.41 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -61.92 -35.89 79.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -52.42 -62.12 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.97 -41.32 95.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.746 HD21 ' HG3' ' A' ' 52' ' ' ARG . 13.4 tp -49.74 -43.81 48.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.36 -24.56 24.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -65.08 -32.76 74.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.647 HG23 ' CG ' ' A' ' 23' ' ' ASN . 84.7 mt -67.58 -74.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.74 38.26 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.731 HD12 HD12 ' A' ' 41' ' ' LEU . 69.7 mt -100.9 145.31 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -96.9 177.08 5.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -95.78 28.21 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.8 t -59.4 -35.57 74.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.779 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.94 -25.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.438 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -66.78 -23.55 66.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.746 ' HG3' HD21 ' A' ' 41' ' ' LEU . 8.3 ttp85 -50.84 -59.19 4.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -61.33 -30.93 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -60.09 -64.48 0.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.02 -38.06 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.41 -66.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.39 -39.92 67.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.593 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -63.05 -65.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.655 HD12 ' CD1' ' A' ' 62' ' ' LEU . 3.9 tp -57.34 -20.97 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -87.28 -26.18 23.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -97.91 -8.38 28.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.655 ' CD1' HD12 ' A' ' 59' ' ' ILE . 16.6 mt -47.26 154.12 0.84 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.67 -170.82 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.658 2.239 . . . . 0.0 112.414 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -140.45 108.54 5.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 98.1 mmm -51.37 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.6 mtm180 -160.79 160.69 25.25 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -18.21 37.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.363 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.436 ' H ' HD12 ' A' ' 68' ' ' ILE . 5.3 mp -76.74 128.66 37.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -140.45 43.98 1.08 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -113.01 150.43 31.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -77.95 144.81 36.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.81 -41.29 63.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.21 171.52 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 0.0 111.09 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -100.29 138.52 20.24 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.613 0.721 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.26 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.1 m -66.93 -58.73 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 t -135.89 176.19 8.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.669 HG11 ' CB ' ' A' ' 94' ' ' PHE . 32.7 t -53.86 -35.9 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.24 -64.11 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -51.77 -31.14 25.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.591 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 7.6 t90 -72.35 -61.03 1.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' A' ' 87' ' ' LEU . 13.5 mt -57.23 -22.2 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -56.74 -24.74 51.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 m -92.47 -15.83 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.452 HG23 ' HG2' ' A' ' 127' ' ' ARG . 5.3 mm -92.97 18.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 58.1 22.31 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.617 HD22 ' CD2' ' A' ' 90' ' ' TYR . 17.9 mt -123.9 143.1 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.1 -48.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -56.02 -32.45 64.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.617 ' CD2' HD22 ' A' ' 87' ' ' LEU . 1.3 m-85 -54.05 -30.09 46.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.7 m -49.98 -34.37 20.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -62.72 -53.06 60.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.99 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.669 ' CB ' HG11 ' A' ' 78' ' ' VAL . 13.6 m-85 -56.96 -44.55 82.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.4 mt -63.26 -61.4 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.7 pt -54.84 -29.99 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -71.02 -27.21 63.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.69 33.6 4.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.677 ' CD1' HD22 ' A' ' 104' ' ' LEU . 46.1 m-85 -95.52 35.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.988 0.423 . . . . 0.0 110.934 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 36.1 p -63.68 -29.3 70.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.7 t -88.5 141.21 28.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 tpt -69.27 -56.89 6.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.788 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.01 -30.17 14.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.677 HD22 ' CD1' ' A' ' 99' ' ' TYR . 2.2 tt -53.63 -40.78 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.592 HD23 ' CD1' ' A' ' 99' ' ' TYR . 71.6 mt -62.78 -25.23 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -97.05 14.34 25.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -119.88 27.34 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 113' ' ' LEU . 13.9 pt -135.14 150.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -97.94 173.05 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -50.93 -40.63 57.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 112' ' ' GLU . 7.3 p -70.63 -43.68 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 111' ' ' VAL . 77.9 mm-40 -57.0 -39.28 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.701 HD12 ' HB2' ' A' ' 117' ' ' LEU . 4.1 tp -75.0 -54.37 7.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.52 HG23 ' H ' ' A' ' 120' ' ' ASN . 40.3 mt -59.37 -20.08 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -94.11 -56.1 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.81 -58.65 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.701 ' HB2' HD12 ' A' ' 113' ' ' LEU . 4.0 mm? -73.11 -16.29 61.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt 52.19 52.34 14.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.675 HD12 HD11 ' A' ' 113' ' ' LEU . 68.7 mt -86.31 -50.65 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.52 ' H ' HG23 ' A' ' 114' ' ' ILE . 9.9 p30 41.97 39.42 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.453 ' H ' HG22 ' A' ' 119' ' ' ILE . 7.7 tp -132.35 118.12 19.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 65.3 mt -50.71 -50.47 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.36 -73.09 0.4 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.418 ' CE1' HD23 ' A' ' 121' ' ' LEU . 24.7 m170 -51.46 -45.69 62.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.835 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.522 ' HG2' HD12 ' A' ' 129' ' ' LEU . 1.2 ttt180 -51.41 -60.85 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -52.34 -49.34 64.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.452 ' HG2' HG23 ' A' ' 85' ' ' ILE . 3.9 ttt180 -53.18 -65.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.591 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 54.1 mt -52.58 -54.15 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.522 HD12 ' HG2' ' A' ' 125' ' ' ARG . 16.6 mt -53.17 -30.69 38.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.12 -47.95 39.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 82.1 p -58.75 -48.26 81.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.81 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.57 -42.76 67.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 105.22 132.73 7.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -74.68 168.13 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.737 0.303 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.2 ptt85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.854 -179.884 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 2' ' ' GLN . 30.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.753 0.311 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.504 ' HG2' HG23 ' A' ' 1' ' ' VAL . 17.6 pt20 -154.75 152.45 29.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -134.21 143.37 47.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.55 -36.36 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.74 -56.79 23.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -64.59 -49.87 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.622 ' CH2' HD12 ' A' ' 59' ' ' ILE . 57.0 t90 -54.22 -53.16 57.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.723 HD21 ' HB2' ' A' ' 16' ' ' TYR . 12.5 tp -65.77 -31.31 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -72.42 -26.71 61.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -82.63 -50.46 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.65 HG21 ' HB1' ' A' ' 58' ' ' ALA . 24.6 pt -73.04 -30.05 30.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.95 -119.43 1.01 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mt -139.39 159.04 67.54 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.679 0.752 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.13 25.35 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.703 2.269 . . . . 0.0 112.371 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -53.86 -27.93 32.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.723 ' HB2' HD21 ' A' ' 8' ' ' LEU . 19.9 m-85 -97.86 -16.07 19.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -51.73 -49.08 63.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -53.27 -47.36 69.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -62.09 -53.74 51.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -50.82 -63.44 1.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.1 ttm -50.71 -51.62 48.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.45 -25.65 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.058 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.557 ' HA ' HD11 ' A' ' 121' ' ' LEU . 2.0 m120 -93.91 20.36 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 -20.41 37.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.44 ' HB3' HD23 ' A' ' 20' ' ' LEU . 3.5 m-85 -78.4 69.4 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.8 -22.31 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -114.39 130.2 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.2 t -57.35 -31.98 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -54.79 -25.88 30.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.82 -27.12 27.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.521 ' CB ' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -119.77 29.68 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.04 -51.85 5.6 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 p -88.42 -46.67 8.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.832 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -108.81 103.51 12.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.6 m -63.47 131.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.448 ' HB3' HG21 ' A' ' 59' ' ' ILE . 24.2 ttm -51.88 121.65 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -88.56 174.99 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -58.59 -36.17 73.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -54.29 -59.22 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' HB3' HG21 ' A' ' 122' ' ' ILE . 2.4 m-20 -63.27 -51.13 67.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.763 HD21 ' HA ' ' A' ' 52' ' ' ARG . 18.8 tp -49.65 -40.21 38.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.477 HD11 HD22 ' A' ' 47' ' ' LEU . 12.2 tp -82.81 -25.35 32.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -73.28 -32.72 64.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.658 HD13 HD12 ' A' ' 122' ' ' ILE . 18.4 mm -52.17 -71.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.23 -32.01 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.451 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.8 mp -53.53 114.42 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.536 HD13 ' N ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER -140.43 127.77 21.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.536 ' N ' HD13 ' A' ' 47' ' ' LEU . 10.6 m120 53.93 37.53 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 m -111.76 8.02 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 52.01 30.59 30.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -113.72 -11.37 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.748 0.309 . . . . 0.0 110.786 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.763 ' HA ' HD21 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -51.72 -62.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -52.43 -41.35 63.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -55.48 -67.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' ' 59' ' ' ILE . 61.2 mt -57.87 -28.14 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.5 -72.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -57.24 -29.4 63.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.65 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -69.94 -45.12 68.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.622 HD12 ' CH2' ' A' ' 7' ' ' TRP . 3.0 tt -85.78 -8.13 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -96.48 -29.93 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.6 mp -112.33 -38.07 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 58' ' ' ALA . 3.9 mm? 61.34 157.74 0.11 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.561 0.695 . . . . 0.0 110.927 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -25.9 28.08 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.426 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -84.96 121.43 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 31.1 ttm -83.77 -38.17 21.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -118.31 70.62 8.6 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.613 0.721 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.89 -179.46 2.99 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.606 2.204 . . . . 0.0 112.32 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.8 tt -95.76 -25.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.207 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.93 -137.46 17.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -114.18 155.05 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -71.78 -53.0 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 142.4 165.72 10.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.27 168.62 10.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -168.05 139.14 2.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.643 0.735 . . . . 0.0 110.839 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.45 4.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.2 t -158.76 172.26 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.1 m -64.36 157.41 26.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.598 HG11 ' CB ' ' A' ' 94' ' ' PHE . 38.7 t -51.51 -43.5 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.42 -62.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -51.33 -33.5 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.564 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 6.6 t90 -68.79 -62.14 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.2 mt -57.76 -22.53 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -61.78 -17.76 57.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.8 p -106.3 -13.59 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 85' ' ' ILE . 8.4 mm -88.5 10.24 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 66.24 18.88 11.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.41 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.3 mm? -110.33 179.25 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.973 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.49 -54.42 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -49.76 -43.57 48.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.511 ' OH ' HG23 ' A' ' 119' ' ' ILE . 22.2 m-85 -49.97 -31.36 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.4 m -46.86 -42.19 16.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 96' ' ' ILE . 19.5 pttt -64.11 -43.25 95.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 92' ' ' LYS . . . -66.92 -51.4 55.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.598 ' CB ' HG11 ' A' ' 78' ' ' VAL . 22.1 m-85 -56.44 -43.29 79.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.18 -60.04 3.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 92' ' ' LYS . 22.3 pt -57.91 -23.69 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -76.68 -27.13 55.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.06 2.42 22.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' O ' HG21 ' A' ' 78' ' ' VAL . 93.2 m-85 -74.07 97.71 2.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.88 -25.82 9.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 m -123.99 129.83 51.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.6 ttm -51.85 -33.61 37.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.47 -39.34 33.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.1 mt -58.06 -37.47 74.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 mt -58.94 -21.67 58.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.0 -29.44 68.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -97.88 24.37 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.27 129.88 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -105.03 178.35 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.12 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -57.15 -68.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.1 p -49.23 -46.38 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 116' ' ' VAL . 5.7 mm-40 -55.96 -40.99 74.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.62 HD12 HD23 ' A' ' 117' ' ' LEU . 21.1 tp -68.97 -36.84 78.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 54.2 mt -78.34 -17.31 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -98.75 -21.44 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 112' ' ' GLU . 90.1 t -103.69 -55.72 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.62 HD23 HD12 ' A' ' 113' ' ' LEU . 3.7 mm? -87.14 -26.86 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? 64.48 44.64 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.511 HG23 ' OH ' ' A' ' 90' ' ' TYR . 7.5 mt -86.65 101.06 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -97.94 -34.78 10.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.685 HD23 ' CD2' ' A' ' 124' ' ' HIS . 12.5 tp -52.48 132.9 35.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.658 HD12 HD13 ' A' ' 44' ' ' ILE . 58.8 mt -69.78 -40.54 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -63.11 -46.42 93.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.685 ' CD2' HD23 ' A' ' 121' ' ' LEU . 38.9 m170 -69.66 -50.79 40.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -30.96 69.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -73.54 -56.21 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -53.46 -44.02 68.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.564 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 87.4 mt -68.5 -54.95 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.493 ' C ' HD13 ' A' ' 129' ' ' LEU . 3.4 tm? -53.29 -41.21 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.67 -52.27 46.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.68 -44.04 62.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.3 mt -69.86 -53.85 16.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 112.24 114.35 3.34 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -59.63 168.59 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -116.18 164.85 13.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.52 130.38 40.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.5 t -51.05 -39.69 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.61 -46.31 94.01 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.517 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.57 -54.98 27.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -56.12 -48.51 76.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.588 HD12 HD11 ' A' ' 11' ' ' ILE . 15.7 tp -62.08 -36.25 81.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.11 -30.85 67.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 t -74.75 -43.25 55.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.588 HD11 HD12 ' A' ' 8' ' ' LEU . 24.9 pt -77.88 -31.01 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.717 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -152.75 -125.45 1.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.717 HD22 ' C ' ' A' ' 12' ' ' GLY . 3.7 mm? -133.31 156.11 80.15 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 68.96 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -120.77 -15.62 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -122.08 0.09 9.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -51.8 -54.74 25.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -55.74 -49.97 71.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -52.69 61.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.16 -57.37 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.2 mtt -54.76 -54.42 42.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.77 -23.68 60.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.552 ' HA ' HD11 ' A' ' 121' ' ' LEU . 2.5 m120 -90.2 13.55 14.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.82 -22.38 39.64 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.455 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -80.72 65.26 5.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.358 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -97.87 -20.71 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -118.52 120.31 37.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.469 HG13 ' SD ' ' A' ' 31' ' ' MET . 24.6 t -51.08 -33.26 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -51.54 -30.23 19.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.75 -25.68 19.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.469 ' SD ' HG13 ' A' ' 28' ' ' VAL . 16.8 mtt -78.86 -30.92 45.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -53.5 -50.16 54.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.05 -38.45 57.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -161.6 119.8 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t -52.6 126.26 8.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.2 mtp -52.6 121.49 7.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -97.03 176.28 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.469 ' HB2' HD11 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -63.71 -33.25 75.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -58.34 -62.19 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -62.36 -42.07 99.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.605 ' HA ' HD12 ' A' ' 44' ' ' ILE . 21.2 tp -57.69 -45.05 86.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 tp -79.57 -21.35 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -75.91 -35.84 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.6 mt -58.95 -71.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.7 35.24 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.9 mm -109.17 44.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.7 -30.87 71.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -66.34 101.88 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -53.43 130.18 34.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.11 -25.76 1.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -115.67 -22.44 9.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 ttp-105 -50.59 -58.04 6.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -57.62 -45.12 85.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -57.79 -64.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.491 ' HB ' HD21 ' A' ' 41' ' ' LEU . 79.9 mt -51.64 -35.05 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 38' ' ' ASP . 8.6 mt -66.98 -52.29 44.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -60.62 -39.63 88.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.27 -58.9 4.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -59.15 -27.2 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -77.92 -37.4 47.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -88.86 -8.51 54.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 6.9 mt -47.34 -60.21 4.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 110.975 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 54.1 Cg_endo -69.69 77.78 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.728 2.285 . . . . 0.0 112.401 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -97.92 -68.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 33.3 mtt -89.29 -49.15 6.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -56.91 159.77 6.91 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.617 0.722 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 178.32 4.66 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.25 . . . . 0.0 112.378 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 39.3 pt -103.76 176.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -69.4 118.86 8.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -141.34 162.17 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -84.88 178.15 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.02 -22.64 0.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.08 163.71 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.149 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -124.24 70.08 52.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 139.22 39.58 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.6 p -111.34 -28.97 8.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.4 m -153.27 167.39 29.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.59 HG11 ' CB ' ' A' ' 94' ' ' PHE . 40.9 t -51.82 -37.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.14 -58.08 7.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -68.78 -12.38 61.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -84.29 -42.27 15.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.5 mt -88.2 -44.55 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -59.54 -21.06 59.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 t -94.64 8.62 41.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.486 HG21 ' HG3' ' A' ' 127' ' ' ARG . 86.5 mt -113.81 -71.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -150.36 -65.49 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.496 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -117.4 125.64 51.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.58 -4.41 58.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -54.98 -40.49 70.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.468 ' CE2' HD11 ' A' ' 87' ' ' LEU . 3.9 m-85 -53.38 -27.83 26.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.5 m -46.64 -34.42 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -62.03 -54.59 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.9 -46.5 89.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CB ' HG11 ' A' ' 78' ' ' VAL . 17.1 m-85 -55.92 -48.01 76.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.1 mt -61.81 -63.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.3 pt -52.11 -29.08 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -71.28 -34.41 70.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.99 0.16 7.06 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.669 ' CD1' HD23 ' A' ' 105' ' ' LEU . 93.3 m-85 -74.05 97.83 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.2 p -114.05 -26.82 7.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.189 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 m -107.27 138.62 43.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.587 ' SD ' HD12 ' A' ' 105' ' ' LEU . 10.0 tpp -59.58 -54.27 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -50.72 -33.15 21.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 104' ' ' LEU . 1.5 tt -55.99 -39.43 71.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.669 HD23 ' CD1' ' A' ' 99' ' ' TYR . 12.0 mt -62.09 -24.06 66.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -83.92 -13.91 52.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -80.96 -29.02 35.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.458 HG21 ' OH ' ' A' ' 99' ' ' TYR . 12.3 pt -81.74 156.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -106.77 179.27 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.426 ' HG2' HD11 ' A' ' 114' ' ' ILE . 4.3 tt0 -53.29 -65.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.437 ' HA ' HD12 ' A' ' 114' ' ' ILE . 4.1 p -50.45 -42.83 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 116' ' ' VAL . 14.8 mm-40 -53.33 -53.58 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.702 HD13 HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -67.81 -26.61 66.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 111' ' ' VAL . 42.1 mt -76.47 -24.1 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -101.2 -18.34 16.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 112' ' ' GLU . 72.4 t -96.8 -54.16 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.438 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.6 mm? -86.86 -14.25 42.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp 59.93 43.81 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.702 HD12 HD13 ' A' ' 113' ' ' LEU . 18.3 mt -93.17 109.42 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.37 -28.91 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.682 HD23 ' CD2' ' A' ' 124' ' ' HIS . 14.6 tp -51.19 139.48 18.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 14.3 mm -61.6 -66.99 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -44.48 -61.42 3.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.682 ' CD2' HD23 ' A' ' 121' ' ' LEU . 26.7 m170 -50.52 -54.96 18.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -51.15 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -52.32 -36.39 53.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.486 ' HG3' HG21 ' A' ' 85' ' ' ILE . 1.9 tpt180 -58.33 -63.18 1.36 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.497 HD12 HD13 ' A' ' 119' ' ' ILE . 22.6 mt -63.74 -50.31 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 tp -49.93 -48.18 51.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.35 63.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.5 t -64.43 -40.98 96.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.1 mt -87.12 -55.24 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 115.59 170.42 16.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -115.21 147.18 40.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.848 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.778 0.323 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -106.18 153.03 22.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -127.53 132.08 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -51.04 -45.58 29.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.59 -42.1 83.52 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.417 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -67.89 -52.74 32.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.659 ' NE1' HD11 ' A' ' 62' ' ' LEU . 41.0 t90 -57.69 -53.4 58.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.7 -48.91 78.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -56.66 -38.34 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.7 t -65.99 -56.68 10.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.44 HG21 ' HB1' ' A' ' 58' ' ' ALA . 38.1 pt -61.67 -24.22 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.623 ' C ' HD23 ' A' ' 13' ' ' LEU . . . -154.34 -101.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.552 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.623 HD23 ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -159.01 160.07 29.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 83.53 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -137.52 -47.52 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.749 ' CE1' HG23 ' A' ' 46' ' ' ILE . 18.0 m-85 -84.7 -9.21 58.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -51.93 -41.19 61.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -59.44 -59.35 5.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -53.25 41.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.81 -63.24 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt -50.08 -55.54 14.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.26 -25.23 47.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.41 21.02 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.88 -24.23 19.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -76.14 73.58 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -109.58 -20.69 12.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -118.46 130.83 56.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.39 -33.48 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.49 -26.16 41.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.48 50.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.053 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.36 32.89 5.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.21 -62.15 1.93 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.5 t -71.39 -44.06 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -112.29 96.7 6.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.2 m -54.51 141.34 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.48 ' HB2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -51.99 167.49 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -152.14 171.3 18.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -59.08 -36.63 75.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -50.15 -59.77 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.21 -37.31 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.808 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.581 HD13 HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -50.85 -44.07 59.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.1 tp -86.12 -32.87 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' HG2' HD11 ' A' ' 122' ' ' ILE . 24.1 tt0 -63.44 -25.88 68.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.801 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.1 mt -81.06 -74.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.48 88.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.749 HG23 ' CE1' ' A' ' 16' ' ' TYR . 68.3 mt -145.57 97.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.16 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.3 tp -119.03 -11.04 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -58.42 99.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t 56.98 24.0 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 51.47 78.13 0.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.427 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.548 ' HB3' HG21 ' A' ' 46' ' ' ILE . 2.6 t60 -82.89 0.57 43.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.547 ' HG2' HD12 ' A' ' 41' ' ' LEU . 2.2 mtm105 -54.79 -47.95 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -61.44 -49.39 77.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -53.09 -63.29 1.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.461 ' HB ' HD21 ' A' ' 41' ' ' LEU . 61.6 mt -54.14 -39.83 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mt -56.71 -67.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -54.26 -32.56 56.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.44 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -66.15 -68.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.496 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -53.64 -28.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -79.11 -33.23 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.6 mt -83.11 -19.49 36.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.659 HD11 ' NE1' ' A' ' 7' ' ' TRP . 24.9 mt -52.51 158.2 2.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.636 0.731 . . . . 0.0 110.964 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -170.67 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.63 2.22 . . . . 0.0 112.363 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -97.89 142.15 29.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -108.32 96.97 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.95 142.73 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -170.09 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.232 . . . . 0.0 112.311 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 tt -92.41 127.1 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.52 -49.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t60 63.57 50.94 2.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -158.66 145.82 17.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.71 -84.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.427 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.35 -178.47 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 111.095 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -112.74 76.73 2.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.558 0.694 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -49.33 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.3 p 50.03 31.04 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.7 m -160.17 134.29 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.796 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.718 HG11 ' CB ' ' A' ' 94' ' ' PHE . 61.1 t -51.6 -49.94 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.947 ' HB2' HG21 ' A' ' 91' ' ' THR . . . -62.77 -39.58 94.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.96 -24.92 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.453 ' CH2' HD11 ' A' ' 132' ' ' LEU . 1.6 t90 -87.07 -41.76 13.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.679 HD12 HG12 ' A' ' 78' ' ' VAL . 16.2 mt -75.71 -29.33 58.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.22 -48.61 68.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.3 t -62.95 -16.97 61.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.436 HG22 ' HD3' ' A' ' 127' ' ' ARG . 5.2 mt -103.2 29.57 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 51.15 30.2 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 90' ' ' TYR . 33.3 mt -127.55 128.01 44.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.26 -45.7 0.13 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -50.16 -43.85 52.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.79 0.328 . . . . 0.0 110.821 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.418 ' CD2' HD13 ' A' ' 87' ' ' LEU . 7.0 m-85 -49.24 -35.96 18.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.947 HG21 ' HB2' ' A' ' 79' ' ' ALA . 30.1 m -46.47 -41.8 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -58.16 -48.96 78.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HA ' HG12 ' A' ' 96' ' ' ILE . . . -66.08 -47.27 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.718 ' CB ' HG11 ' A' ' 78' ' ' VAL . 14.9 m-85 -56.5 -42.17 77.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.47 HD13 HG22 ' A' ' 91' ' ' THR . 0.1 OUTLIER -68.4 -62.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 92' ' ' LYS . 25.4 pt -49.55 -30.08 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -78.18 -33.86 49.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.11 50.0 0.74 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.593 ' OH ' HG11 ' A' ' 116' ' ' VAL . 45.0 m-85 -112.59 22.59 14.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.976 0.417 . . . . 0.0 110.927 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 p -49.39 -54.79 15.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.218 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.85 162.36 4.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.798 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 85.2 mmm -103.43 -44.11 5.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -43.95 -52.38 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 105' ' ' LEU . 3.1 pp -61.41 -34.36 75.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.672 HD11 HG22 ' A' ' 78' ' ' VAL . 12.3 mt -67.18 -11.45 57.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -109.96 3.29 20.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.08 12.83 12.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.477 HG21 HD23 ' A' ' 113' ' ' LEU . 4.7 tt -90.81 165.26 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -117.79 161.32 19.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -50.55 -60.6 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.28 -40.31 22.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 116' ' ' VAL . 2.9 mt-10 -60.9 -42.03 97.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.806 HD12 HD12 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -66.59 -43.82 83.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 44.0 mt -76.06 -16.93 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -95.64 -21.13 18.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.593 HG11 ' OH ' ' A' ' 99' ' ' TYR . 71.0 t -102.15 -59.24 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.47 ' HB2' HD13 ' A' ' 113' ' ' LEU . 4.3 mm? -77.65 -17.14 58.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm 63.89 37.98 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.806 HD12 HD12 ' A' ' 113' ' ' LEU . 55.5 mt -81.87 101.08 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -84.08 -29.42 26.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.481 HD23 ' CD2' ' A' ' 124' ' ' HIS . 5.8 tp -63.34 116.8 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.432 HD11 ' HG2' ' A' ' 43' ' ' GLU . 83.1 mt -62.36 -36.0 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.26 -46.08 94.67 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.481 ' CD2' HD23 ' A' ' 121' ' ' LEU . 50.3 m170 -69.75 -56.33 7.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -36.5 61.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -71.31 -47.65 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.436 ' HD3' HG22 ' A' ' 85' ' ' ILE . 4.8 mtp180 -53.83 -50.25 66.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.6 pt -69.62 -38.87 77.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.69 -49.95 75.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.98 -32.47 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.9 t -65.65 -48.37 72.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.453 HD11 ' CH2' ' A' ' 81' ' ' TRP . 23.3 mt -73.01 -46.71 50.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 134.48 172.09 12.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.492 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.22 -66.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.865 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 37.0 t . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.531 ' HB3' HG21 ' A' ' 28' ' ' VAL . 2.5 mp0 -61.62 159.76 12.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.605 HG22 ' H ' ' A' ' 5' ' ' GLY . 44.1 m -141.62 127.72 19.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 74.7 t -51.1 -34.65 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.605 ' H ' HG22 ' A' ' 3' ' ' THR . . . -60.29 -57.37 19.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.507 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -60.99 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -57.82 -60.67 3.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 16' ' ' TYR . 3.6 tp -56.04 -32.16 63.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.76 -31.91 65.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t -75.44 -39.63 58.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 pt -85.53 -20.61 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.694 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -157.24 -126.53 0.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.694 HD22 ' C ' ' A' ' 12' ' ' GLY . 3.8 mm? -130.94 157.18 78.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -5.69 16.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.748 2.299 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.0 -27.47 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.647 ' CE1' HG23 ' A' ' 46' ' ' ILE . 61.1 m-85 -107.2 -13.78 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HA ' HD22 ' A' ' 8' ' ' LEU . 2.2 tm-20 -50.93 -59.11 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -51.08 -41.91 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -59.89 -57.18 13.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mp -51.5 -57.5 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.6 mtp -50.49 -60.32 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -19.24 49.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -92.7 17.53 10.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.16 -24.31 22.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.05 63.72 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -95.93 -27.14 15.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -105.32 122.44 45.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 2' ' ' GLN . 22.5 t -52.71 -24.01 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -53.79 -39.15 65.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.52 -19.94 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.419 ' HE2' ' HA ' ' A' ' 28' ' ' VAL . 50.6 mtm -110.27 -6.13 15.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.15 -28.55 18.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -104.47 -175.18 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 110.806 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -91.22 17.06 8.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG22 ' HD3' ' A' ' 126' ' ' LYS . 7.2 p -60.39 -37.03 72.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.18 159.6 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -168.61 176.17 5.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.666 ' HA ' HD23 ' A' ' 41' ' ' LEU . 1.5 t70 -58.82 -38.14 77.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.792 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.39 -46.69 73.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.58 -57.09 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.79 HD11 ' HG3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -51.31 -28.22 11.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.5 tp -85.88 -38.88 17.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.474 ' HB3' HD11 ' A' ' 122' ' ' ILE . 4.8 tt0 -65.92 -25.08 66.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 41' ' ' LEU . 80.6 mt -67.07 -76.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.38 36.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.647 HG23 ' CE1' ' A' ' 16' ' ' TYR . 1.8 mp -122.58 37.32 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 tp -59.21 -23.17 62.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -54.28 103.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.2 p -53.9 139.32 34.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.62 -25.34 5.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -115.97 -19.15 10.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.843 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.79 ' HG3' HD11 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -50.84 -60.05 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -59.02 -36.67 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -57.17 -60.63 3.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -59.18 -53.9 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mt -52.31 -64.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -49.99 -39.1 39.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.44 -53.6 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.482 ' HA ' HD12 ' A' ' 62' ' ' LEU . 61.6 mt -58.58 -39.57 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -23.73 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.3 tp -87.93 -18.89 28.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 59' ' ' ILE . 20.7 mt -49.12 157.63 0.8 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.916 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -179.25 2.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.21 . . . . 0.0 112.382 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -159.31 93.47 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.4 mtp -129.24 165.44 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -59.4 156.33 31.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 175.69 7.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.322 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.7 pp -122.76 151.11 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.95 -142.32 15.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -138.69 141.35 38.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -145.04 155.36 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -174.45 75.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.37 138.85 40.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -118.07 138.5 25.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.581 0.705 . . . . 0.0 110.823 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 83.51 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.748 2.299 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 84.2 m -92.97 -43.99 8.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.0 m -134.41 160.36 38.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.718 HG11 ' CB ' ' A' ' 94' ' ' PHE . 42.1 t -50.72 -33.01 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.98 -56.2 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -71.91 -12.1 61.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -88.08 -37.65 16.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.586 HD12 HG12 ' A' ' 78' ' ' VAL . 4.8 mt -90.45 -30.9 17.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -79.56 -4.51 51.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.3 t -116.4 11.17 14.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.2 mt -113.2 -64.7 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -156.02 -51.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.685 HD11 ' CD2' ' A' ' 90' ' ' TYR . 2.0 pt? -131.94 133.99 45.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.39 -8.35 41.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.34 -42.98 70.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.311 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.685 ' CD2' HD11 ' A' ' 87' ' ' LEU . 1.5 m-85 -52.94 -27.88 20.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.447 HG22 HD12 ' A' ' 95' ' ' LEU . 87.6 m -45.91 -35.19 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -61.02 -54.8 40.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.975 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.81 87.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.718 ' CB ' HG11 ' A' ' 78' ' ' VAL . 19.2 m-85 -55.34 -47.65 75.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.447 HD12 HG22 ' A' ' 91' ' ' THR . 9.6 mt -61.7 -62.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.1 pt -53.81 -26.4 13.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -73.93 -32.69 63.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.58 13.88 5.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.678 ' OH ' HD13 ' A' ' 108' ' ' ILE . 84.5 m-85 -88.02 95.65 10.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 110.897 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.68 -31.8 6.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -99.61 168.96 9.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.1 mmt -83.86 -53.54 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -49.57 -33.89 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.01 -41.3 71.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.611 HD23 ' CD1' ' A' ' 99' ' ' TYR . 21.8 mt -64.49 -22.9 67.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -95.4 4.53 53.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -98.13 -24.53 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.678 HD13 ' OH ' ' A' ' 99' ' ' TYR . 39.2 pt -86.88 152.87 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -104.06 -177.66 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -52.05 -64.38 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.3 p -50.36 -41.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 116' ' ' VAL . 18.4 mm-40 -59.36 -40.87 87.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.813 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.641 HD21 ' HB ' ' A' ' 119' ' ' ILE . 2.3 tt -69.5 -39.28 77.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 39.3 mt -77.44 -17.33 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.93 -21.94 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 112' ' ' GLU . 89.1 t -104.56 -56.97 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.486 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.4 mm? -84.53 -25.12 28.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt 58.98 47.93 11.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.641 ' HB ' HD21 ' A' ' 113' ' ' LEU . 13.4 mt -94.37 102.39 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -97.44 -36.71 10.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.5 tp -51.01 129.18 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.474 HD11 ' HB3' ' A' ' 43' ' ' GLU . 44.7 mt -62.73 -47.86 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.37 -63.62 4.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -57.85 -53.7 55.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -66.24 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.425 ' HD3' HG22 ' A' ' 35' ' ' VAL . 22.2 ttmm -52.47 -41.47 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -64.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.511 HD11 HD11 ' A' ' 113' ' ' LEU . 33.3 pt -61.71 -31.35 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 129' ' ' LEU . 12.2 mt -61.54 -48.33 81.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.19 -38.94 72.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 p -64.12 -43.69 94.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.29 -51.31 31.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 140.66 123.15 1.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -93.17 140.35 29.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.878 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.72 0.295 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -122.13 160.6 24.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -121.6 137.12 54.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.0 t -50.09 -44.71 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.22 -43.71 84.06 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.25 -57.16 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.7 t90 -53.45 -44.67 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 11' ' ' ILE . 8.9 tp -64.3 -46.18 84.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.58 -30.27 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -75.8 -57.08 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.618 HG21 ' HB1' ' A' ' 58' ' ' ALA . 27.6 pt -58.15 -32.5 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.98 -114.46 0.36 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.517 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 mt -134.7 159.0 73.83 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.681 0.753 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 75.87 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.406 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -119.59 -29.26 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.508 ' H ' HD21 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -101.49 1.56 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.11 -66.32 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -52.42 -51.65 58.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.36 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -49.65 -55.83 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.97 -60.88 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.51 -20.55 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -91.64 13.86 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.4 -23.7 26.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -77.06 66.86 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.962 0.41 . . . . 0.0 110.839 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -98.41 -22.22 16.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -122.42 127.68 49.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -53.44 -32.32 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -57.72 -27.73 63.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.78 -25.98 43.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.737 ' O ' HG12 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -52.23 -31.23 31.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.49 81.54 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 57.67 28.06 15.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.828 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 59.84 52.86 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 31' ' ' MET . 7.4 p -84.46 -3.65 8.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.95 147.37 5.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.94 176.29 8.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.29 -48.14 82.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -51.67 -39.18 57.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -67.81 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -46.93 -33.53 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 tp -77.69 -44.89 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' HB3' HD11 ' A' ' 122' ' ' ILE . 43.1 tt0 -56.14 -35.52 67.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 41' ' ' LEU . 70.8 mt -53.19 -73.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.99 73.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.3 mm -117.97 115.41 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.4 mp -90.18 -70.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -50.62 144.28 8.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.4 t -80.02 -25.26 40.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.47 -1.21 81.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.71 -56.27 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -39.03 57.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -62.23 -54.27 43.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -54.6 -55.9 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.77 -33.14 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 56' ' ' LEU . 7.5 mt -61.55 -58.16 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -63.15 -32.78 74.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.618 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -69.71 -40.38 76.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.735 HD11 ' CG ' ' A' ' 31' ' ' MET . 10.3 tp -86.65 -12.9 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -97.45 -22.43 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 61' ' ' LEU . 4.2 tt -116.39 -40.56 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 58' ' ' ALA . 3.8 mm? 61.2 157.67 0.11 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.606 0.717 . . . . 0.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 157.01 61.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.306 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -54.01 -45.14 71.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.501 ' O ' ' C ' ' A' ' 66' ' ' ARG . 23.8 ttm -65.5 162.49 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER 30.19 66.84 0.79 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.74 . . . . 0.0 110.876 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -44.53 2.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.9 tp -154.69 145.95 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.85 -132.81 6.45 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.442 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -128.71 136.18 50.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -95.89 -69.08 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.64 120.04 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.4 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.62 149.89 35.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -168.79 157.21 7.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.527 0.679 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.526 ' O ' HG23 ' A' ' 76' ' ' THR . 53.7 Cg_endo -69.72 116.23 4.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 75' ' ' PRO . 0.7 OUTLIER -161.72 173.54 14.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.136 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 m -74.75 173.8 10.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.77 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.9 t -54.86 -41.37 57.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.38 -70.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -51.38 -40.05 58.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.5 ' CH2' HD11 ' A' ' 132' ' ' LEU . 14.7 t90 -57.52 -68.42 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.99 -28.47 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -56.94 -23.62 46.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -100.47 -12.12 19.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 85' ' ' ILE . 9.7 mm -90.53 12.35 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 66.89 13.73 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.42 HD12 ' CD2' ' A' ' 90' ' ' TYR . 4.3 mm? -109.51 178.4 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.67 -53.39 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -50.35 -39.25 45.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.42 ' CD2' HD12 ' A' ' 87' ' ' LEU . 25.4 m-85 -52.83 -32.47 44.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -46.2 -35.73 5.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.164 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -65.04 -57.09 9.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.65 -47.28 86.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -56.26 -47.03 79.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.23 -61.07 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.8 pt -56.04 -25.03 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -75.3 -27.17 59.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.48 11.31 15.38 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.432 ' CE2' HD21 ' A' ' 117' ' ' LEU . 77.2 m-85 -80.8 97.91 7.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.961 0.41 . . . . 0.0 110.96 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.64 -48.28 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.196 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.42 ' H ' HD12 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -99.67 137.67 37.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.16 -33.22 74.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -41.88 62.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.42 HD12 ' H ' ' A' ' 101' ' ' SER . 6.0 mt -58.98 -30.6 68.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.438 ' HB3' HD13 ' A' ' 132' ' ' LEU . 24.5 mt -61.63 -24.08 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -93.78 16.61 13.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.29 21.43 11.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.7 pt -128.75 162.92 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -113.76 177.94 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.694 ' OE2' HD11 ' A' ' 114' ' ' ILE . 35.1 tp10 -53.17 -59.3 4.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 p -51.2 -42.59 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 116' ' ' VAL . 64.9 mm-40 -60.39 -43.41 96.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.73 HD11 HD12 ' A' ' 119' ' ' ILE . 28.3 tp -65.09 -38.56 91.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.694 HD11 ' OE2' ' A' ' 110' ' ' GLU . 47.9 mt -80.27 -17.56 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -95.33 -19.05 20.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 112' ' ' GLU . 93.1 t -107.68 -55.2 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.532 HD23 HD12 ' A' ' 113' ' ' LEU . 3.4 mm? -90.34 -28.1 18.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 49.38 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.73 HD12 HD11 ' A' ' 113' ' ' LEU . 22.8 mt -95.55 97.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -93.07 -21.26 19.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.9 tp -65.66 118.42 9.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.449 HD11 ' HB3' ' A' ' 43' ' ' GLU . 65.7 mt -54.38 -44.45 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.04 -73.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.547 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -49.12 -52.28 27.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.723 0.296 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -50.78 -65.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -51.8 -34.99 42.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.43 -66.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.413 HD11 HD12 ' A' ' 119' ' ' ILE . 16.2 pt -62.44 -36.09 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.4 tp -60.27 -59.84 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 35' ' ' VAL . . . -63.94 -30.37 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -67.41 -52.19 42.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.902 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.5 HD11 ' CH2' ' A' ' 81' ' ' TRP . 44.6 mt -69.4 -52.28 28.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.05 -147.45 4.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.93 166.97 20.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.827 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.893 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.743 0.306 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -90.56 162.59 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 m -115.69 124.87 51.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.2 t -51.6 -43.4 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.75 -50.22 70.03 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -58.22 -52.8 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.46 ' CE2' HD13 ' A' ' 11' ' ' ILE . 57.9 t90 -60.24 -56.04 26.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.706 HD21 ' HB2' ' A' ' 16' ' ' TYR . 12.2 tp -56.9 -27.67 61.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -76.23 -39.83 53.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 t -67.49 -43.21 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.46 HD13 ' CE2' ' A' ' 7' ' ' TRP . 27.3 pt -81.1 -30.53 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.37 -107.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.548 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -153.03 159.25 32.47 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -8.23 23.09 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.648 2.232 . . . . 0.0 112.349 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -54.06 -27.19 30.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.731 ' CE1' HG23 ' A' ' 46' ' ' ILE . 92.9 m-85 -102.34 -13.84 17.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -51.6 -54.28 29.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -51.62 -49.59 61.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -53.6 56.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.798 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.73 -58.98 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 17.9 ttm -51.03 -56.39 12.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.22 -22.92 53.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' HA ' HD11 ' A' ' 121' ' ' LEU . 2.1 m120 -93.33 19.69 7.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.48 -24.57 22.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -78.29 70.04 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -102.55 -24.96 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -117.58 126.42 52.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.9 t -57.43 -22.06 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.095 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -57.67 -30.11 65.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.57 -25.98 29.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.604 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.4 OUTLIER -77.53 -29.89 52.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.62 -60.94 6.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.443 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . 78.8 p -53.46 -47.9 69.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.435 ' HB2' ' HB2' ' A' ' 130' ' ' ALA . 2.7 m120 -152.25 108.9 3.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.7 m -53.88 148.42 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.458 ' HB2' HD13 ' A' ' 59' ' ' ILE . 10.3 mtp -52.16 151.0 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -126.96 170.41 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.98 -50.02 69.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -58.21 -44.56 88.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.85 -66.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 pp -51.28 -31.17 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.7 tp -73.42 -35.38 65.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.763 ' HB3' HD11 ' A' ' 122' ' ' ILE . 2.3 tt0 -74.74 -30.19 61.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.9 mm -49.66 -67.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.19 39.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.444 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.731 HG23 ' CE1' ' A' ' 16' ' ' TYR . 6.2 mt -105.83 29.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.359 . . . . 0.0 111.109 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.36 146.92 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 t30 63.55 55.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.605 ' OG ' HG22 ' A' ' 46' ' ' ILE . 3.4 p -166.95 163.26 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.49 -1.43 56.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.538 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -58.31 -22.69 53.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.791 0.329 . . . . 0.0 110.812 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -51.58 -58.0 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -55.29 -31.06 61.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -66.0 -58.1 6.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.401 HD12 ' CD1' ' A' ' 46' ' ' ILE . 58.9 mt -61.42 -33.12 55.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 56' ' ' LEU . 12.1 mt -65.78 -62.98 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -59.23 -35.47 73.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.15 -61.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.645 ' HA ' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -58.68 -25.16 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -76.93 -43.9 33.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.412 HD13 ' HB3' ' A' ' 64' ' ' LYS . 0.2 OUTLIER -79.81 -15.16 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 59' ' ' ILE . 6.7 mt -50.21 -60.4 5.3 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 54.3 Cg_endo -69.74 -37.95 8.52 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.662 2.242 . . . . 0.0 112.403 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HB3' HD13 ' A' ' 61' ' ' LEU . 4.4 tppt? -51.64 -36.47 46.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.8 mmm -101.69 116.38 32.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 58.85 70.98 1.04 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 149.42 66.93 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.8 tt -84.54 -31.01 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.89 -136.95 9.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -138.29 143.79 40.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -132.11 137.94 47.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.19 -153.76 9.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.5 176.43 11.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.744 0.307 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -142.52 160.6 53.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 106.72 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.9 p -141.4 176.42 8.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 m -76.85 161.64 28.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.672 HG21 ' HB3' ' A' ' 99' ' ' TYR . 61.7 t -52.97 -36.03 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.85 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -61.6 -18.07 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.604 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 10.0 t90 -76.64 -51.94 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 85' ' ' ILE . 11.0 mt -76.2 -39.71 54.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -62.33 -25.54 67.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.0 t -89.68 5.24 46.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.525 HD11 ' OG ' ' A' ' 131' ' ' SER . 70.9 mt -110.46 -74.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -174.1 -52.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 90' ' ' TYR . 3.8 mm? -51.48 -79.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.07 -54.43 4.23 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -50.28 -41.5 50.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.498 ' CD2' HD12 ' A' ' 87' ' ' LEU . 5.1 m-85 -51.22 -28.14 10.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.422 HG22 HD12 ' A' ' 95' ' ' LEU . 92.4 m -44.76 -38.18 4.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.81 -59.67 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.75 -43.38 76.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.06 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.656 ' HB3' HG11 ' A' ' 78' ' ' VAL . 9.4 m-85 -58.49 -53.91 53.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.422 HD12 HG22 ' A' ' 91' ' ' THR . 5.9 mt -54.41 -57.23 12.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.3 pt -59.15 -27.59 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -73.76 -17.67 61.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.0 12.3 14.42 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.672 ' HB3' HG21 ' A' ' 78' ' ' VAL . 70.6 m-85 -90.07 98.7 11.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 0.0 110.904 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.41 -20.66 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.423 ' H ' HD12 ' A' ' 104' ' ' LEU . 6.7 m -127.25 127.49 44.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.484 ' HG3' HD12 ' A' ' 105' ' ' LEU . 8.3 ttm -54.37 -32.88 57.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -51.27 -44.75 61.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.423 HD12 ' H ' ' A' ' 101' ' ' SER . 9.7 mt -54.9 -31.61 60.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.484 HD12 ' HG3' ' A' ' 102' ' ' MET . 25.3 mt -61.97 -19.61 62.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -22.03 60.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -103.25 17.99 22.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 46.8 mm -99.16 128.6 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -102.97 172.02 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.064 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -54.45 -64.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.2 p -49.68 -45.89 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 116' ' ' VAL . 4.4 mm-40 -58.71 -36.66 74.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.564 HD11 ' CD1' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -70.58 -39.54 73.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.469 ' N ' HD23 ' A' ' 113' ' ' LEU . 40.1 mt -76.38 -20.59 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -91.94 -27.57 17.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 112' ' ' GLU . 98.8 t -96.64 -58.38 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 117' ' ' LEU . 3.3 mm? -84.28 -39.06 19.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.8 mttt 64.4 47.05 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.564 ' CD1' HD11 ' A' ' 113' ' ' LEU . 12.8 mt -67.07 -62.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.6 t30 50.15 49.36 20.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.509 HD23 ' CD2' ' A' ' 124' ' ' HIS . 12.1 tp -145.53 127.45 15.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 43' ' ' GLU . 7.6 mm -52.97 -64.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -44.99 -66.45 1.47 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.509 ' CD2' HD23 ' A' ' 121' ' ' LEU . 28.8 m170 -49.85 -46.89 51.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.14 -63.82 1.03 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.53 -42.32 54.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -57.94 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.604 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 49.4 mt -63.39 -54.26 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.6 tp -50.51 -31.97 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 33' ' ' SER . . . -76.47 -47.45 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.525 ' OG ' HD11 ' A' ' 85' ' ' ILE . 32.4 t -63.89 -26.57 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.7 mt -87.19 -45.17 10.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 88.89 164.81 40.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.496 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -118.14 -31.23 5.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.776 0.322 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -136.61 -179.61 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 m -152.75 134.14 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -52.35 -49.17 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.066 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -56.46 -41.4 88.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.4 -52.11 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.724 0.297 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.407 ' NE1' HD11 ' A' ' 62' ' ' LEU . 40.8 t90 -61.49 -53.21 59.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.694 HD12 HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -54.16 -44.29 71.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -66.79 -36.1 81.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.7 t -65.7 -39.16 90.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.511 HG21 ' HB1' ' A' ' 58' ' ' ALA . 49.3 pt -82.51 -25.08 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.03 -112.18 0.49 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.437 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.0 159.19 43.61 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.569 0.699 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 73.28 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.47 2.11 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -137.93 10.07 2.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.65 -55.53 22.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -56.56 -49.39 74.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.73 -59.17 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.694 HD22 HD12 ' A' ' 8' ' ' LEU . 3.0 mp -50.21 -59.43 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.1 ttm -50.51 -57.03 9.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.63 -23.33 50.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -93.24 20.33 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.91 -24.44 21.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.409 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -78.23 69.63 4.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.37 -24.49 13.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -121.39 129.72 53.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 t -59.15 -23.06 23.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -59.88 -21.92 61.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.62 -20.48 56.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.545 ' HG2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -92.53 -7.0 48.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.48 139.11 31.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m 52.22 32.66 11.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 0.0 110.813 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -168.18 -178.98 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.7 m -148.03 130.31 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.487 ' HB3' HG21 ' A' ' 59' ' ' ILE . 3.0 ttt -52.15 107.43 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -79.64 158.69 26.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -53.42 -44.27 68.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.72 -55.76 10.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.58 -50.42 72.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.665 HD11 HD12 ' A' ' 55' ' ' ILE . 16.6 tp -49.04 -53.08 21.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.616 HD23 ' HD2' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -68.39 -29.45 68.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -67.3 -31.21 71.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 41' ' ' LEU . 28.4 mt -63.54 -74.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.68 52.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.442 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.3 mm -113.62 154.58 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.883 0.373 . . . . 0.0 111.107 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.413 ' H ' HD12 ' A' ' 47' ' ' LEU . 6.1 mp -70.5 -177.93 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -63.08 -72.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 m -117.43 29.65 7.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.77 -80.71 0.84 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -109.54 -7.95 15.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.616 ' HD2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -51.3 -63.6 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -52.34 -37.66 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.9 tpt85 -56.74 -63.17 1.29 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.665 HD12 HD11 ' A' ' 41' ' ' LEU . 78.7 mt -59.59 -34.37 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.61 -63.86 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.418 ' HG2' HD12 ' A' ' 61' ' ' LEU . 32.0 tt0 -57.72 -34.29 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.511 ' HB1' HG21 ' A' ' 11' ' ' ILE . . . -66.74 -69.63 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.633 HD12 HD12 ' A' ' 62' ' ' LEU . 4.6 tp -52.46 -28.97 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -79.14 -32.87 44.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.418 HD12 ' HG2' ' A' ' 57' ' ' GLN . 19.4 mt -80.38 -20.55 43.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.633 HD12 HD12 ' A' ' 59' ' ' ILE . 37.5 mt -48.5 107.72 0.81 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.986 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 62' ' ' LEU . 54.0 Cg_endo -69.71 -170.54 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.386 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -139.34 114.95 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.949 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.9 mtp -96.4 -36.64 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -153.39 70.79 6.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -178.03 2.14 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.74 2.293 . . . . 0.0 112.301 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.6 mm -98.36 141.99 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.42 -63.64 5.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -136.08 131.54 34.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.832 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -83.15 156.78 23.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.16 -111.38 1.71 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 54.79 45.43 26.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -114.21 74.56 2.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.687 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -8.76 24.41 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 p -52.06 -68.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -171.52 161.52 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.498 HG11 ' CB ' ' A' ' 94' ' ' PHE . 40.5 t -51.15 -37.63 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.72 -55.76 26.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -70.78 -14.85 62.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.446 ' CE3' HG13 ' A' ' 78' ' ' VAL . 9.6 t90 -81.51 -39.07 25.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.449 HD12 HG12 ' A' ' 78' ' ' VAL . 7.5 mt -91.15 -43.45 9.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -26.89 62.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.0 m -83.67 -12.87 55.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.482 HD11 ' OG ' ' A' ' 131' ' ' SER . 85.1 mt -88.09 -72.14 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.573 ' HB3' HD23 ' A' ' 87' ' ' LEU . 5.8 tt0 -159.78 -54.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD21 ' HD2' ' A' ' 127' ' ' ARG . 0.9 OUTLIER -120.63 123.3 42.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.99 -2.8 58.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -54.0 -40.87 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 87' ' ' LEU . 8.1 m-85 -51.93 -29.71 21.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.0 m -45.08 -36.84 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.088 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.591 ' O ' HG23 ' A' ' 96' ' ' ILE . 4.9 mmtm -62.22 -50.04 73.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' HA ' HG12 ' A' ' 96' ' ' ILE . . . -63.08 -47.13 84.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.06 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.498 ' CB ' HG11 ' A' ' 78' ' ' VAL . 21.9 m-85 -55.73 -47.58 76.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 40.9 mt -63.1 -62.97 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.591 HG23 ' O ' ' A' ' 92' ' ' LYS . 25.8 pt -49.88 -29.59 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.195 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -73.95 -36.04 64.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.53 -11.46 4.62 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.634 ' CD1' HD23 ' A' ' 105' ' ' LEU . 97.7 m-85 -65.45 97.47 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.888 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.99 -40.43 6.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.6 m -107.05 163.29 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.4 ttm -74.03 -43.23 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.43 -39.11 31.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 104' ' ' LEU . 2.0 tt -57.83 -37.7 74.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.634 HD23 ' CD1' ' A' ' 99' ' ' TYR . 12.3 mt -64.88 -20.0 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -86.61 -8.34 57.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -93.8 18.26 10.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.3 pt -138.93 142.65 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.587 ' HB3' ' OE1' ' A' ' 112' ' ' GLU . . . -98.5 -173.09 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -52.84 -62.32 1.72 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 112' ' ' GLU . 4.0 p -49.55 -42.66 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.162 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.587 ' OE1' ' HB3' ' A' ' 109' ' ' ALA . 11.7 mp0 -60.76 -40.09 91.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.722 HD11 HD12 ' A' ' 119' ' ' ILE . 38.8 tp -68.16 -38.45 82.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 27.9 mt -80.8 -16.57 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.89 -21.02 17.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.488 HG12 HD22 ' A' ' 117' ' ' LEU . 93.6 t -102.43 -52.47 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.518 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.8 mm? -91.31 9.99 29.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.2 pttt 39.02 45.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.722 HD12 HD11 ' A' ' 113' ' ' LEU . 57.9 mt -93.01 98.59 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -94.84 -34.24 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.42 HD23 ' CD2' ' A' ' 124' ' ' HIS . 3.2 tp -51.54 124.96 13.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.24 -50.16 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.05 -64.29 3.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.42 ' CD2' HD23 ' A' ' 121' ' ' LEU . 35.4 m170 -53.19 -53.78 45.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.732 0.301 . . . . 0.0 110.811 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -28.37 46.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.5 -63.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.615 ' HD2' HD21 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -48.02 -41.14 24.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.523 HD12 HD13 ' A' ' 119' ' ' ILE . 21.1 mt -71.58 -50.99 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 63.0 tp -51.1 -47.45 61.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.74 -43.07 69.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.482 ' OG ' HD11 ' A' ' 85' ' ' ILE . 35.5 t -57.67 -32.45 67.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.62 -51.63 8.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 94.01 101.89 1.66 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.436 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -110.13 -29.53 8.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.319 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.926 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.768 0.318 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -112.27 158.51 19.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 m -126.76 128.91 47.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.7 t -51.11 -50.46 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.66 -48.01 67.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.417 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -58.26 -57.3 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.517 ' CH2' HD13 ' A' ' 59' ' ' ILE . 52.7 t90 -57.23 -57.68 11.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.771 HD21 ' HB2' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -52.06 -33.73 40.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -76.96 -30.55 56.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.5 t -78.7 -23.75 45.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 pt -102.22 -20.25 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.412 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -142.83 -137.82 3.37 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.409 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.412 HD22 ' C ' ' A' ' 12' ' ' GLY . 4.0 mm? -116.53 157.58 45.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.576 0.703 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -169.72 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 63.34 13.34 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.771 ' HB2' HD21 ' A' ' 8' ' ' LEU . 3.2 m-85 -109.97 -24.84 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -54.35 -44.57 72.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -51.51 -48.45 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.51 -53.47 47.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 8' ' ' LEU . 1.1 mp -53.44 -61.29 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.26 -51.96 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.57 -27.95 65.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.562 ' HA ' HD11 ' A' ' 121' ' ' LEU . 2.2 m120 -88.51 7.8 31.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.65 -24.02 31.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.404 ' HD2' HD11 ' A' ' 44' ' ' ILE . 2.4 m-85 -79.67 61.9 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -99.39 -17.35 18.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -120.91 124.75 45.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.38 -31.31 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.86 -25.16 55.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.94 -30.91 59.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.632 ' HG3' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -112.16 31.77 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.13 -56.22 3.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 p -80.64 -52.95 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.385 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.76 161.61 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.9 m -105.85 131.45 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.613 ' HB3' HG21 ' A' ' 59' ' ' ILE . 10.6 tpp -52.59 101.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -71.33 162.2 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.58 ' HA ' HD23 ' A' ' 41' ' ' LEU . 1.1 p30 -61.2 -48.75 80.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -54.81 -37.64 66.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.87 -62.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.58 HD23 ' HA ' ' A' ' 38' ' ' ASP . 0.4 OUTLIER -50.79 -29.26 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -84.82 -33.08 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.973 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.552 ' CB ' HD11 ' A' ' 122' ' ' ILE . 2.9 mt-10 -66.77 -34.55 78.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.41 HD11 HG21 ' A' ' 122' ' ' ILE . 23.5 mm -50.85 -73.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.32 36.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.448 HD12 ' CE2' ' A' ' 16' ' ' TYR . 34.0 mm -90.19 99.48 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.884 0.373 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.19 -67.52 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -52.21 103.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 p -59.82 -23.69 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.25 -21.65 62.18 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -77.45 -22.39 51.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.812 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.66 -58.98 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -54.09 -39.14 66.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -57.33 -61.15 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.5 mt -58.73 -32.13 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.89 -71.55 0.2 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -33.18 25.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.86 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.632 HD11 ' HG3' ' A' ' 31' ' ' MET . 7.8 tp -66.63 -11.83 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -99.83 -27.19 13.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.4 tp -89.91 -46.91 8.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -47.99 157.57 0.62 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 156.75 62.5 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.393 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.91 164.99 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.1 tpt -76.84 111.75 12.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 64.53 153.5 0.12 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.628 0.728 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -34.07 15.39 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.683 2.256 . . . . 0.0 112.368 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.2 tt -83.43 139.61 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.17 34.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -108.45 150.11 27.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -64.36 155.17 33.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.71 39.35 0.2 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.0 159.89 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 0.0 111.054 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -118.04 68.05 6.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.521 0.676 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 162.62 41.35 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.364 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.74 -38.53 3.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -164.94 174.71 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.642 HG11 ' HB3' ' A' ' 94' ' ' PHE . 38.9 t -51.33 -40.01 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.97 -63.5 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -51.41 -31.95 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.574 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 5.1 t90 -70.43 -60.75 2.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.05 -22.33 49.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.14 -26.4 38.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -96.97 -14.99 21.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 85' ' ' ILE . 10.7 mm -88.84 10.67 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.048 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 59.03 28.05 17.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.636 HD22 ' CD2' ' A' ' 90' ' ' TYR . 13.5 mt -127.42 145.16 50.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -136.39 -44.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -53.08 -40.62 64.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.636 ' CD2' HD22 ' A' ' 87' ' ' LEU . 5.9 m-85 -51.91 -31.22 27.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.1 m -49.16 -38.26 24.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -61.29 -55.71 28.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.49 86.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.642 ' HB3' HG11 ' A' ' 78' ' ' VAL . 7.8 m-85 -55.72 -45.1 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.96 -63.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.5 pt -52.63 -29.06 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.182 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -68.25 -35.1 77.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.17 12.25 5.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.758 ' CD1' HD12 ' A' ' 104' ' ' LEU . 87.1 m-85 -86.34 97.64 10.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.3 p -113.15 -37.96 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -105.17 137.02 43.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.648 ' SD ' HD12 ' A' ' 105' ' ' LEU . 12.2 tpp -54.64 -47.74 73.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -47.44 -33.99 6.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.758 HD12 ' CD1' ' A' ' 99' ' ' TYR . 1.8 tm? -54.97 -44.32 74.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.648 HD12 ' SD ' ' A' ' 102' ' ' MET . 19.8 mt -61.83 -21.79 64.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -68.15 -22.15 64.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.427 ' O ' HD12 ' A' ' 108' ' ' ILE . 41.6 mtpt -99.54 20.17 14.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 107' ' ' LYS . 1.4 mp -117.13 139.48 43.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.16 -172.66 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.034 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -57.2 -56.51 20.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 112' ' ' GLU . 4.7 p -55.17 -44.66 75.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.184 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 111' ' ' VAL . 6.4 mm-40 -61.8 -35.56 78.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.913 HD11 HD12 ' A' ' 119' ' ' ILE . 14.8 tp -69.5 -44.68 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 31.9 mt -78.38 -15.26 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -96.86 -21.9 17.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.75 -56.71 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.44 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.8 mm? -83.92 -20.31 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt 58.72 46.94 13.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.913 HD12 HD11 ' A' ' 113' ' ' LEU . 32.1 mt -92.25 117.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -117.98 -28.04 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.562 HD11 ' HA ' ' A' ' 23' ' ' ASN . 15.0 tp -51.69 131.54 30.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.552 HD11 ' CB ' ' A' ' 43' ' ' GLU . 7.0 mm -54.75 -65.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -45.14 -63.31 2.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.544 ' CD2' HD23 ' A' ' 121' ' ' LEU . 30.3 m170 -51.93 -41.27 61.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -61.98 -69.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -49.7 -45.02 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -55.14 -69.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.641 HD12 HD13 ' A' ' 119' ' ' ILE . 76.5 mt -52.12 -53.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.4 OUTLIER -51.49 -35.47 40.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.6 -49.23 55.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.1 p -56.23 -43.54 78.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 67.8 mt -75.22 -34.58 61.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -166.0 107.32 0.29 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.395 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -75.48 -27.28 58.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.8 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.409 HG21 HD11 ' A' ' 68' ' ' ILE . 10.7 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.313 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -105.44 177.57 4.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m -160.0 137.26 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.8 t -49.72 -30.6 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.81 -54.41 33.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -67.12 -47.04 72.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.922 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -56.82 -57.2 13.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.3 tp -58.14 -46.97 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.39 -34.6 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -68.87 -53.56 20.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.782 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.1 pt -65.83 -23.65 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.25 -105.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.4 mt -155.13 157.83 31.91 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.575 0.703 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 72.85 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.667 2.245 . . . . 0.0 112.267 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.46 -26.88 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.505 ' CE2' HG23 ' A' ' 46' ' ' ILE . 9.3 m-85 -113.35 -2.49 13.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -52.56 -46.95 67.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -58.53 -52.84 63.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -54.08 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.506 HD23 ' HB3' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -51.45 -61.49 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.4 mtp -50.33 -53.39 29.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.58 -24.27 63.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.549 ' HA ' HD11 ' A' ' 121' ' ' LEU . 4.4 t-20 -94.1 19.71 8.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.98 -24.19 22.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.506 ' HB3' HD23 ' A' ' 20' ' ' LEU . 3.2 m-85 -79.07 68.66 5.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -107.69 -10.28 15.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -125.85 129.12 48.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.2 t -59.3 -21.39 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.16 -24.77 65.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.71 -21.6 60.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -117.37 26.78 9.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.3 -55.02 3.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.9 p -95.04 -27.06 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 0.0 110.818 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' HB2' ' HB2' ' A' ' 130' ' ' ALA . 4.4 t30 -103.17 -177.25 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.4 t -145.57 120.04 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.424 ' CB ' HD13 ' A' ' 59' ' ' ILE . 20.5 ttm -59.37 123.85 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -97.68 -178.01 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -60.17 -35.87 76.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -54.11 -60.99 2.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.28 -40.82 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.605 HD21 ' CB ' ' A' ' 52' ' ' ARG . 7.2 tp -48.91 -52.12 26.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.66 -35.34 62.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -61.94 -25.66 67.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.43 HD13 HD12 ' A' ' 122' ' ' ILE . 8.8 mm -73.07 -69.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 146.19 42.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.531 HD13 HD12 ' A' ' 41' ' ' LEU . 4.4 mp -107.91 -13.75 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 24.5 tp -58.61 -21.2 52.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -51.14 -30.91 17.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.58 -179.59 5.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.77 57.43 2.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.54 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -114.61 -4.61 12.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.605 ' CB ' HD21 ' A' ' 41' ' ' LEU . 48.6 mtp180 -52.13 -49.32 63.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.04 -51.86 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.41 -61.19 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.503 HD12 HG21 ' A' ' 46' ' ' ILE . 60.5 mt -59.03 -31.25 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.475 ' HG ' HD22 ' A' ' 41' ' ' LEU . 8.6 mt -64.97 -58.48 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -61.87 -43.96 97.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.01 -59.09 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.424 HD13 ' CB ' ' A' ' 36' ' ' MET . 1.5 tt -61.89 -27.31 42.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.01 -44.11 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.25 -65.95 0.95 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.8 tp 47.38 77.45 0.46 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.78 108.29 2.05 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.738 2.292 . . . . 0.0 112.325 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.6 -11.89 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.0 mtt -60.11 -47.63 85.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.486 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 2.3 mtt180 -56.58 -60.61 8.75 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.615 0.721 . . . . 0.0 110.903 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 54.4 Cg_endo -69.78 -169.61 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.356 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.409 HD11 HG21 ' A' ' 1' ' ' VAL . 0.1 OUTLIER -111.52 -27.16 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.19 -146.4 24.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.523 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -155.17 178.89 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -113.28 -179.2 3.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.52 -142.53 12.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.0 178.85 9.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 111.166 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -124.32 73.82 59.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 157.29 61.0 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.1 m -117.63 -24.53 7.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.3 m -126.94 163.53 23.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.813 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.546 HG11 ' HB3' ' A' ' 94' ' ' PHE . 64.7 t -51.53 -38.44 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.04 -61.91 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -51.94 -30.93 26.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.524 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 7.1 t90 -76.0 -60.02 2.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.53 -27.74 17.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.62 -23.98 44.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t -74.83 -22.39 58.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.624 ' HB ' HD12 ' A' ' 87' ' ' LEU . 1.8 mm -94.94 23.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 39.82 42.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.624 HD12 ' HB ' ' A' ' 85' ' ' ILE . 3.9 mt -110.99 -79.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.52 -52.46 4.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.88 -46.54 51.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.486 ' CD2' HD22 ' A' ' 87' ' ' LEU . 1.8 m-85 -53.8 -32.89 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.7 m -47.95 -34.1 8.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -64.41 -56.51 13.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.61 -44.29 89.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.546 ' HB3' HG11 ' A' ' 78' ' ' VAL . 11.6 m-85 -58.71 -47.72 83.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.95 -59.09 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.0 pt -56.8 -28.98 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -72.45 -26.46 61.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.87 5.08 20.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.717 ' CD1' HD11 ' A' ' 104' ' ' LEU . 90.9 m-85 -75.85 96.65 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.906 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.54 -30.67 8.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.178 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.466 ' HB2' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -102.0 170.67 7.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.5 ttt -101.67 -42.33 6.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.85 -41.35 64.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.717 HD11 ' CD1' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -59.61 -29.3 67.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.7 mt -59.18 -22.23 60.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -98.14 22.74 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -123.05 19.46 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.945 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 9.9 pt -125.54 162.73 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -112.18 -174.37 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -61.8 -57.14 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.7 p -51.31 -43.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.2 mm-40 -62.69 -47.41 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.991 HD11 HD12 ' A' ' 119' ' ' ILE . 11.8 tp -59.65 -36.35 76.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.7 mt -84.14 -19.05 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -93.0 -14.04 27.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 112' ' ' GLU . 61.3 t -114.68 -52.23 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.636 HD21 ' CE2' ' A' ' 99' ' ' TYR . 3.3 mm? -94.87 -25.78 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 14.1 tptm 64.81 46.29 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.991 HD12 HD11 ' A' ' 113' ' ' LEU . 24.8 mt -89.96 95.34 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -96.28 -32.95 12.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 23' ' ' ASN . 13.8 tp -51.84 124.26 12.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.43 HD12 HD13 ' A' ' 44' ' ' ILE . 73.1 mt -55.34 -51.06 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.89 -70.37 0.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.464 ' CE1' HD23 ' A' ' 121' ' ' LEU . 35.1 m170 -51.19 -36.29 40.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -67.69 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -44.24 76.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -51.84 -60.63 2.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.524 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 74.6 mt -59.12 -49.08 84.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.213 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.3 mp -51.61 -40.81 60.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' A' ' 34' ' ' ASN . . . -74.41 -43.05 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.0 t -56.86 -35.18 68.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.0 mt -82.91 -48.99 10.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 162.67 147.24 4.96 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -81.94 -53.29 6.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.369 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.899 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.756 0.312 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -116.76 143.06 46.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.47 HG22 ' H ' ' A' ' 5' ' ' GLY . 17.3 m -118.84 133.43 55.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.63 ' CG1' HD22 ' A' ' 20' ' ' LEU . 84.4 t -51.57 -36.69 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.47 ' H ' HG22 ' A' ' 3' ' ' THR . . . -63.49 -42.46 98.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.518 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -69.06 -47.57 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.436 ' CE2' HD11 ' A' ' 62' ' ' LEU . 56.2 t90 -64.04 -45.01 90.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.39 -51.47 67.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.958 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -65.71 -27.81 68.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.7 t -71.41 -43.66 66.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 pt -79.64 -32.45 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.695 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -149.44 -122.78 1.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 12' ' ' GLY . 4.1 mm? -132.8 157.27 78.77 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.625 0.726 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 74.06 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -125.35 -4.96 7.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -131.2 2.65 4.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -56.86 -62.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -49.53 -50.16 43.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -48.26 81.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.63 HD22 ' CG1' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -53.52 -64.8 0.71 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.4 ptp -54.54 -45.69 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -26.3 67.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -95.93 19.64 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.64 -22.83 31.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.612 ' HB3' HD23 ' A' ' 20' ' ' LEU . 3.4 m-85 -78.96 68.6 4.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.914 0.388 . . . . 0.0 110.961 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -104.72 -24.53 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.1 122.05 43.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.8 t -51.07 -27.15 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -53.95 -41.16 67.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' HD3' ' A' ' 127' ' ' ARG . . . -59.37 -23.54 62.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.617 ' HB3' HD11 ' A' ' 59' ' ' ILE . 5.8 mmt -64.52 -27.0 68.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.33 -142.17 19.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 p -117.86 101.97 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.372 . . . . 0.0 110.82 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m120 63.32 31.41 15.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.98 -50.56 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttt -51.61 110.15 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -105.0 172.38 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.616 ' HA ' HD23 ' A' ' 41' ' ' LEU . 8.7 p-10 -58.45 -39.49 79.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -56.5 -43.49 79.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.5 -56.22 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.626 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -56.64 -23.38 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 tp -92.71 -28.98 16.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HB3' HD11 ' A' ' 122' ' ' ILE . 32.5 tt0 -74.93 -36.05 62.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 41' ' ' LEU . 21.0 mt -56.33 -74.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.16 38.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.58 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 46' ' ' ILE . 16.2 mm -83.61 0.92 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.893 0.377 . . . . 0.0 111.19 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.3 mt -58.46 -21.46 51.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -51.19 -36.52 41.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.27 166.72 23.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.18 74.5 1.24 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.517 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -117.66 17.31 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.819 0.343 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HG2' HD11 ' A' ' 41' ' ' LEU . 25.3 mtp180 -53.76 -57.92 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -60.7 -35.34 76.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -60.49 -68.94 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.12 -40.23 54.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.66 -48.91 79.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -63.19 -42.53 99.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.3 -54.42 37.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 31' ' ' MET . 1.1 tp -63.68 -28.16 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -74.43 -37.49 63.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 61' ' ' LEU . 1.4 pp -90.05 -12.13 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 59' ' ' ILE . 6.7 mt -48.91 -60.08 5.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.953 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 53.8 Cg_endo -69.82 -11.25 30.39 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.6 -17.06 64.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 51.4 ttp -112.76 111.82 22.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 52.67 71.64 1.4 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 93.05 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -11.09 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.84 -113.51 2.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 m170 57.29 52.98 8.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.813 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -118.98 122.34 41.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.1 95.18 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.17 171.82 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 59.91 73.23 0.67 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.552 0.692 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 124.91 11.52 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.714 2.276 . . . . 0.0 112.294 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.3 p -153.68 178.61 9.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -52.78 172.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 99' ' ' TYR . 18.6 t -59.34 -46.47 92.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.188 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.79 -61.9 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -51.04 -42.47 60.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.419 ' CH2' HG23 ' A' ' 128' ' ' ILE . 3.1 t90 -57.9 -62.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 87' ' ' LEU . 20.9 mt -60.0 -20.77 59.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.19 -35.14 73.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.9 m -83.01 -3.76 57.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 85' ' ' ILE . 6.5 mt -120.89 26.99 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.237 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 39.87 41.04 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.637 HD22 ' CD2' ' A' ' 90' ' ' TYR . 17.6 mt -130.07 30.96 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.28 -31.79 56.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.02 -41.94 71.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.841 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.637 ' CD2' HD22 ' A' ' 87' ' ' LEU . 2.8 m-85 -54.77 -26.55 35.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.8 m -49.39 -31.98 10.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.55 -57.0 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.54 -48.26 82.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -55.69 -45.8 77.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.9 mt -61.48 -61.54 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.8 pt -54.46 -26.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -75.34 -29.79 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.23 20.27 6.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.729 ' CD1' HD11 ' A' ' 104' ' ' LEU . 71.6 m-85 -87.85 88.94 7.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 110.972 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.8 p -97.77 -43.89 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.732 ' HB2' HD23 ' A' ' 104' ' ' LEU . 1.2 m -86.98 169.78 12.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.3 ttt -101.32 -44.95 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.5 -39.19 64.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.732 HD23 ' HB2' ' A' ' 101' ' ' SER . 1.0 OUTLIER -59.39 -29.51 67.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 99' ' ' TYR . 48.9 mt -58.11 -22.83 52.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -96.4 23.7 6.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -116.66 -0.98 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.4 pt -107.16 160.66 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -111.23 177.86 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.059 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -51.12 -62.66 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 112' ' ' GLU . 3.6 p -50.49 -45.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 116' ' ' VAL . 49.8 mm-40 -55.71 -42.23 74.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.758 HD11 HD12 ' A' ' 119' ' ' ILE . 13.2 tp -69.37 -35.77 76.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 59.7 mt -78.15 -17.52 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -99.99 -20.74 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 112' ' ' GLU . 93.1 t -104.32 -55.54 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.692 HD23 HD12 ' A' ' 113' ' ' LEU . 3.6 mm? -87.33 -24.47 24.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt 64.2 43.5 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.758 HD12 HD11 ' A' ' 113' ' ' LEU . 26.0 mt -90.95 106.06 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -102.29 -30.0 11.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.58 HD23 ' CD2' ' A' ' 124' ' ' HIS . 6.4 tp -55.06 135.94 48.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.407 HD11 ' HB3' ' A' ' 43' ' ' GLU . 67.4 mt -69.23 -52.15 36.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -52.15 -45.43 57.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.58 ' CD2' HD23 ' A' ' 121' ' ' LEU . 29.4 m170 -70.86 -60.63 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.94 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -31.12 20.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -73.61 -60.83 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.61 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 47.2 mtm180 -49.93 -44.86 50.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.581 HD12 HD13 ' A' ' 119' ' ' ILE . 58.6 mt -67.52 -51.81 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 67.8 tp -50.12 -46.87 54.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.89 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.92 -46.79 78.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 12.1 mt -84.89 -25.84 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.56 89.27 1.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.6 103.84 15.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.327 . . . . 0.0 110.825 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.778 0.323 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.596 ' HG3' HG21 ' A' ' 28' ' ' VAL . 26.2 tp60 -106.29 153.38 22.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -136.96 128.5 28.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.45 -30.84 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.66 -50.82 45.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.58 -44.63 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.525 ' NE1' HD11 ' A' ' 62' ' ' LEU . 66.6 t90 -61.0 -44.49 97.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 14' ' ' PRO . 5.0 tp -65.44 -50.32 65.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -23.59 66.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -79.55 -39.83 30.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 7' ' ' TRP . 46.1 pt -78.4 -26.65 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.24 -127.49 0.89 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.618 HD13 ' HD2' ' A' ' 14' ' ' PRO . 0.4 OUTLIER -107.69 126.93 28.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.654 0.74 . . . . 0.0 110.871 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.661 ' HA ' HD23 ' A' ' 8' ' ' LEU . 52.9 Cg_endo -69.88 74.87 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.302 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -131.98 5.07 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -121.03 -7.38 9.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -51.55 -47.78 63.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -53.4 -43.57 68.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.54 -57.57 8.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.72 -59.41 4.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 ttt -51.92 -54.82 25.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.67 -23.47 59.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.698 HD22 HG23 ' A' ' 44' ' ' ILE . 13.0 m-20 -92.89 19.65 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.02 -22.8 27.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -78.38 70.33 4.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.96 -18.05 16.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -121.14 125.33 46.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.596 HG21 ' HG3' ' A' ' 2' ' ' GLN . 17.3 t -55.03 -28.64 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -59.1 -33.46 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.92 -19.35 41.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.478 ' SD ' HG13 ' A' ' 28' ' ' VAL . 10.2 mtt -78.73 -21.33 48.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.07 -145.48 25.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.546 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -93.65 -70.78 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -117.82 29.01 8.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.06 -63.74 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.43 ' HG3' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -56.02 157.0 4.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -166.13 -171.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -62.33 -33.11 74.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -56.24 -60.35 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.58 -41.88 92.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 41' ' ' LEU . 7.2 tp -51.92 -44.14 63.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.834 HD12 HD22 ' A' ' 47' ' ' LEU . 29.9 tp -82.34 -28.68 31.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -65.47 -30.92 71.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.698 HG23 HD22 ' A' ' 23' ' ' ASN . 14.7 mt -68.63 -74.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.176 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 151.34 39.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.815 HG21 HD12 ' A' ' 55' ' ' ILE . 15.3 mm -89.23 -8.6 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.834 HD22 HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -72.46 -9.53 58.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -51.57 -51.53 54.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.75 -25.99 7.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.667 ' O ' HG22 ' A' ' 46' ' ' ILE . . . 127.15 -132.35 7.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 t60 63.32 16.29 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.729 0.3 . . . . 0.0 110.815 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -62.69 -64.16 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -52.04 -34.54 43.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -64.47 -60.75 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.815 HD12 HG21 ' A' ' 46' ' ' ILE . 96.2 mt -58.52 -38.23 69.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -58.94 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -57.16 -36.91 71.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.47 -65.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' HA ' HD12 ' A' ' 62' ' ' LEU . 3.6 tt -52.5 -27.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -83.38 -32.18 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.7 tp -82.11 -16.2 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.525 HD11 ' NE1' ' A' ' 7' ' ' TRP . 19.9 mt -50.62 158.25 1.12 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -171.08 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.332 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.66 164.71 30.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.2 mtp -135.43 111.66 9.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.492 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 10.2 mmm-85 -62.55 -60.44 9.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 53.4 Cg_endo -69.81 165.33 31.37 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.0 mt -107.94 107.85 23.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.59 85.83 1.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.53 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -163.36 154.78 17.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -138.16 161.01 37.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 144.32 -132.64 4.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.13 161.73 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -83.81 138.66 40.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 99.36 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.279 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.0 m -97.61 -43.97 6.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.9 t -123.46 173.41 8.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.669 HG11 ' HB3' ' A' ' 94' ' ' PHE . 61.1 t -53.07 -40.21 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.3 -75.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -50.74 -34.01 25.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.589 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 14.8 t90 -58.33 -52.85 63.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -75.47 -27.48 58.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.99 -6.13 49.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -110.49 9.06 23.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.72 HG22 ' HG2' ' A' ' 86' ' ' GLU . 87.8 mt -114.64 -78.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.72 ' HG2' HG22 ' A' ' 85' ' ' ILE . 4.1 pt-20 -177.25 31.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.537 HD21 ' CE1' ' A' ' 124' ' ' HIS . 8.9 mt -145.63 -179.25 6.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.8 -52.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -55.02 -35.33 64.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.506 ' CD2' HD22 ' A' ' 87' ' ' LEU . 1.8 m-85 -52.53 -30.84 32.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.9 m -49.07 -37.15 20.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.172 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -61.6 -51.78 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.43 -46.29 90.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.669 ' HB3' HG11 ' A' ' 78' ' ' VAL . 12.9 m-85 -57.43 -45.84 84.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.59 -60.51 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.9 pt -53.96 -29.05 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -72.59 -28.51 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.74 8.6 13.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.49 ' O ' HG21 ' A' ' 78' ' ' VAL . 92.0 m-85 -81.25 91.65 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.981 0.419 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.98 -72.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.405 ' N ' HD21 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -77.25 -176.85 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -30.13 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -50.82 -44.02 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -60.84 -30.53 70.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.489 HD13 ' CZ3' ' A' ' 81' ' ' TRP . 48.4 mt -63.21 -17.26 62.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -90.16 10.4 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -111.58 -45.76 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.939 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 113' ' ' LEU . 24.2 pt -54.82 152.02 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.217 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -103.91 178.62 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.508 ' C ' HD12 ' A' ' 114' ' ' ILE . 3.1 mt-10 -55.14 -66.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.807 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.7 p -50.1 -40.56 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 116' ' ' VAL . 10.7 mm-40 -55.07 -56.49 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.683 HD13 HD12 ' A' ' 119' ' ' ILE . 0.5 OUTLIER -69.2 -26.93 65.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.508 HD12 ' C ' ' A' ' 110' ' ' GLU . 29.9 mt -74.7 -23.86 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.42 -22.67 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 112' ' ' GLU . 71.0 t -91.1 -54.22 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.411 HD22 HG12 ' A' ' 116' ' ' VAL . 3.7 mm? -85.72 -18.05 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt 64.34 42.71 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.683 HD12 HD13 ' A' ' 113' ' ' LEU . 17.0 mt -91.09 100.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -94.59 -34.22 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.53 HD23 ' CD2' ' A' ' 124' ' ' HIS . 3.3 tp -52.46 130.82 32.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 31.6 mt -68.13 -50.08 61.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.87 -42.0 68.58 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.479 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.537 ' CE1' HD21 ' A' ' 87' ' ' LEU . 36.9 m170 -71.89 -60.85 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.785 0.326 . . . . 0.0 110.812 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -31.98 31.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -73.69 -54.89 7.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -37.86 53.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.589 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 57.4 mt -73.71 -53.77 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -52.62 -38.33 60.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.7 -37.54 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.487 ' OG ' HD11 ' A' ' 85' ' ' ILE . 1.7 t -61.02 -34.41 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 74.9 mt -92.88 -37.77 12.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.17 134.2 2.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -115.24 130.56 56.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.721 0.295 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.852 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.739 0.304 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -119.07 162.27 18.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 5' ' ' GLY . 26.1 m -152.18 124.81 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 86.0 t -53.39 -36.5 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.458 ' H ' HG22 ' A' ' 3' ' ' THR . . . -60.61 -47.96 88.58 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.432 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -66.92 -49.49 65.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.75 0.309 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -59.24 -51.83 68.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.552 HD21 ' H ' ' A' ' 16' ' ' TYR . 8.4 tp -58.55 -46.8 86.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -60.85 -36.15 78.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 t -66.71 -49.88 64.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' A' ' 58' ' ' ALA . 50.0 pt -69.91 -24.24 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.134 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.38 -102.83 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 mt -152.74 157.62 33.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.404 ' HA ' HD23 ' A' ' 8' ' ' LEU . 54.1 Cg_endo -69.7 72.4 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -127.71 -1.98 6.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.552 ' H ' HD21 ' A' ' 8' ' ' LEU . 2.8 m-85 -126.95 -1.46 6.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -58.45 -53.92 52.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -54.55 -45.06 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -63.69 -58.04 8.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mp -51.49 -58.53 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 29.3 ttm -52.47 -54.85 26.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.76 59.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.209 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.549 ' HA ' HD11 ' A' ' 121' ' ' LEU . 6.4 t-20 -92.07 14.67 15.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.34 -23.8 28.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.7 71.74 4.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.804 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -103.59 -22.98 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -111.61 123.65 50.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -53.37 -27.59 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -58.22 -30.81 66.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.24 -23.84 64.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.9 mtt -67.76 -14.52 63.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.48 -139.37 21.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.3 p -126.05 -36.87 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.853 0.358 . . . . 0.0 110.92 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -112.42 -31.86 6.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.4 m -59.14 -176.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.403 ' HG2' HD12 ' A' ' 59' ' ' ILE . 0.9 OUTLIER 61.46 72.16 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.9 -167.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -50.95 -34.51 29.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -60.23 -57.96 10.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -39.66 94.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.777 HD21 ' HA ' ' A' ' 52' ' ' ARG . 13.0 tp -58.18 -41.73 84.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD22 ' NH2' ' A' ' 52' ' ' ARG . 26.8 tp -83.99 -22.29 31.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CB ' HD11 ' A' ' 122' ' ' ILE . 1.0 OUTLIER -74.56 -31.88 62.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.1 mt -67.73 -74.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.735 ' O ' HD13 ' A' ' 46' ' ' ILE . . . 167.45 60.28 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.735 HD13 ' O ' ' A' ' 45' ' ' GLY . 16.8 mm -128.18 125.88 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.848 0.356 . . . . 0.0 111.187 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.2 176.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.98 153.78 19.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.4 t 52.37 52.85 13.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.2 -94.82 0.1 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -86.22 -6.19 59.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.777 ' HA ' HD21 ' A' ' 41' ' ' LEU . 41.4 mtt180 -51.27 -64.25 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.27 -46.52 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -53.18 -70.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.0 mt -51.3 -48.3 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HG ' HD22 ' A' ' 41' ' ' LEU . 12.9 mt -51.14 -58.5 5.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -52.16 -48.36 64.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.514 ' CB ' HG21 ' A' ' 11' ' ' ILE . . . -58.73 -45.36 89.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.403 HD12 ' HG2' ' A' ' 36' ' ' MET . 28.3 mm -64.34 -36.16 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.066 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -69.18 -37.94 78.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.6 mt -87.63 -72.51 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mt 44.41 75.59 0.63 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.656 0.741 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 78.67 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mtmm -161.09 107.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.6 ttt -125.94 138.1 53.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -138.55 70.02 45.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.523 0.678 . . . . 0.0 110.817 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -10.16 27.83 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.742 2.295 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.479 HD13 ' H ' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -117.57 154.27 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 151.33 -123.0 1.43 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.534 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -106.36 140.82 38.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -128.13 165.94 19.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.28 96.18 0.93 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -136.09 121.39 19.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -138.75 68.36 43.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.515 0.674 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.82 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.3 p -97.91 -35.77 10.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -136.57 176.46 8.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.42 HG11 ' CB ' ' A' ' 94' ' ' PHE . 38.3 t -52.7 -40.55 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.17 -72.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.033 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -50.84 -31.86 18.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.602 ' CZ2' HG23 ' A' ' 128' ' ' ILE . 12.6 t90 -62.79 -57.18 11.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.414 HD12 HG12 ' A' ' 78' ' ' VAL . 12.2 mt -69.45 -21.47 63.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -55.17 -34.7 64.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -95.14 21.78 7.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 85' ' ' ILE . 6.0 mt -134.25 23.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.163 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 56.4 23.88 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.513 HD22 ' CD2' ' A' ' 90' ' ' TYR . 22.4 mt -126.36 131.81 51.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.45 -42.99 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -54.24 -37.17 64.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.68 ' OH ' HG23 ' A' ' 119' ' ' ILE . 2.6 m-85 -52.85 -31.6 40.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -48.32 -36.1 13.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -65.35 -58.68 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.46 -44.51 84.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.42 ' CB ' HG11 ' A' ' 78' ' ' VAL . 7.8 m-85 -58.65 -49.27 78.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.5 mt -57.91 -57.39 13.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.9 pt -58.78 -28.11 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -72.81 -18.35 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.2 28.19 7.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.538 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -92.02 47.94 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.956 0.408 . . . . 0.0 110.9 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.87 -75.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.3 t -67.37 126.97 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.1 ttt -51.39 -35.01 36.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.71 -29.99 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -51.35 -47.83 62.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.23 -24.97 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -66.62 -17.65 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -127.28 50.93 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.8 mm -118.12 136.0 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.59 164.15 12.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.69 ' O ' HD23 ' A' ' 113' ' ' LEU . 37.6 mm-40 -46.99 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.6 p -48.53 -32.79 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 116' ' ' VAL . 3.9 tp10 -54.97 -63.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.844 HD12 HD12 ' A' ' 119' ' ' ILE . 0.2 OUTLIER -67.55 -25.63 65.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.505 HD12 ' C ' ' A' ' 110' ' ' GLU . 48.2 mt -72.0 -26.28 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -101.71 -24.18 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 112' ' ' GLU . 86.7 t -87.76 -56.17 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.27 -16.84 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 51.27 37.78 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.844 HD12 HD12 ' A' ' 113' ' ' LEU . 81.3 mt -62.59 -62.85 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.199 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 52.09 37.36 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.598 HD23 ' CG ' ' A' ' 124' ' ' HIS . 12.2 tp -130.75 121.48 25.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.409 HD11 ' CB ' ' A' ' 43' ' ' GLU . 5.0 mm -56.62 -51.08 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -53.83 -56.72 19.21 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.598 ' CG ' HD23 ' A' ' 121' ' ' LEU . 44.9 m170 -61.97 -59.51 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.807 0.336 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.92 -27.56 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -74.25 -62.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -51.41 -39.43 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.602 HG23 ' CZ2' ' A' ' 81' ' ' TRP . 58.2 mt -71.03 -51.3 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 55.9 tp -50.81 -46.68 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.65 -37.17 65.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.2 t -59.07 -34.51 72.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 55.6 mt -93.2 -54.66 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 131.96 163.88 10.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -129.07 171.64 12.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.88 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.756 0.312 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -117.86 165.88 13.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.575 HG22 ' H ' ' A' ' 5' ' ' GLY . 58.9 m -139.95 135.52 32.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.54 ' CG1' HD22 ' A' ' 20' ' ' LEU . 92.7 t -50.27 -39.21 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.575 ' H ' HG22 ' A' ' 3' ' ' THR . . . -61.0 -47.87 89.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.74 -53.0 57.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.766 0.317 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -58.86 -54.36 47.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.774 HD22 HD13 ' A' ' 20' ' ' LEU . 19.4 tp -57.69 -35.74 71.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -67.75 -39.87 84.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.9 t -66.47 -47.69 72.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.476 HD11 HD12 ' A' ' 8' ' ' LEU . 32.7 pt -74.55 -23.6 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.09 -103.76 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.553 HD13 ' NE2' ' A' ' 15' ' ' GLN . 97.1 mt -154.47 154.48 29.51 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.68 0.752 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.96 22.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.553 ' NE2' HD13 ' A' ' 13' ' ' LEU . 1.2 mp0 -53.7 -27.98 31.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.518 ' HB2' HD21 ' A' ' 8' ' ' LEU . 63.3 m-85 -101.04 -13.79 18.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -50.98 -47.59 61.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -51.7 -45.22 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -48.49 75.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.774 HD13 HD22 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -52.85 -63.83 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.3 ptm -54.2 -45.87 72.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.07 67.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.487 ' HA ' HD11 ' A' ' 121' ' ' LEU . 6.3 t-20 -94.62 18.67 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.26 -20.79 44.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.436 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -78.93 63.57 3.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.813 0.34 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.45 -14.12 16.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.18 123.19 47.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -56.69 -22.61 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -59.32 -31.6 69.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.61 -14.45 58.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.455 ' HB3' HD11 ' A' ' 59' ' ' ILE . 2.6 mpp? -111.11 13.68 21.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -51.96 -28.58 25.17 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 m -115.0 -171.75 2.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -95.18 23.09 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.466 HG21 ' HG3' ' A' ' 126' ' ' LYS . 7.7 p -57.75 -37.37 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.406 ' CB ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -61.14 102.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -113.21 -176.74 2.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.4 -36.66 64.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -50.99 -59.86 3.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.99 -42.43 94.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 52' ' ' ARG . 3.4 tp -50.58 -39.38 49.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -87.56 -28.1 22.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.998 179.789 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -18.08 61.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.813 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 41' ' ' LEU . 9.6 mt -74.05 -49.71 32.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.21 -13.77 1.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.462 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mm -52.69 102.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 111.138 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.7 tp -104.91 -46.15 4.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -54.61 130.8 41.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.5 t -76.95 123.87 26.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.787 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.02 -51.48 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -75.1 -40.41 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.338 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.744 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -51.74 -46.09 63.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -63.99 -36.23 83.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -63.28 -51.03 67.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.18 -51.38 69.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.41 -52.6 52.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.45 -51.94 60.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.92 -56.16 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.455 HD11 ' HB3' ' A' ' 31' ' ' MET . 2.0 tt -65.87 -29.79 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -62.0 -43.25 99.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.02 -65.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mt 45.78 76.99 0.48 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 92.23 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.405 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -141.71 144.04 33.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -112.6 -25.64 9.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.542 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 10.3 tpt180 -54.33 -57.68 17.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 55.0 Cg_endo -69.72 89.67 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.757 2.305 . . . . 0.0 112.38 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.9 pt -136.6 162.26 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 158.59 -107.15 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.55 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.5 m80 58.42 35.21 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -146.94 126.58 13.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.36 150.6 6.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.37 123.19 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -142.11 140.08 18.92 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.718 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 111.3 2.77 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.384 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 35.8 p -138.86 154.69 48.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -85.65 169.56 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.71 HG11 ' CB ' ' A' ' 94' ' ' PHE . 49.2 t -52.65 -33.45 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.07 -67.8 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.94 -15.95 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -78.63 -37.61 41.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.585 HD12 HG12 ' A' ' 78' ' ' VAL . 5.1 mt -90.74 -38.16 13.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -66.91 -15.67 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -95.73 -17.59 21.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.733 HG22 ' HG2' ' A' ' 86' ' ' GLU . 80.9 mt -86.95 -77.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.733 ' HG2' HG22 ' A' ' 85' ' ' ILE . 62.9 mm-40 -139.75 -71.49 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -113.7 134.14 54.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.18 -4.09 55.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.448 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -56.22 -40.91 74.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.874 0.369 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 87' ' ' LEU . 6.3 m-85 -54.27 -24.58 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.037 0.446 . . . . 0.0 110.943 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.1 m -48.01 -32.5 6.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -64.28 -55.97 17.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.22 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.71 ' CB ' HG11 ' A' ' 78' ' ' VAL . 11.3 m-85 -58.84 -48.81 80.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.7 mt -60.07 -59.28 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.6 pt -56.44 -29.18 28.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.05 -25.45 62.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.457 ' O ' HD13 ' A' ' 104' ' ' LEU . . . 106.73 31.04 4.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.651 ' CD1' HD23 ' A' ' 105' ' ' LEU . 51.5 m-85 -98.58 34.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.963 0.411 . . . . 0.0 110.93 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 p -55.91 -29.32 59.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.161 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.0 t -101.96 129.34 48.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -48.09 81.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -51.78 -30.94 24.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.611 HD22 ' CD1' ' A' ' 99' ' ' TYR . 1.3 tt -55.87 -36.93 68.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.651 HD23 ' CD1' ' A' ' 99' ' ' TYR . 12.9 mt -64.08 -23.8 67.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -5.89 58.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -104.74 26.48 9.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.2 pt -142.53 148.33 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.12 -175.31 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.518 ' HB2' HD21 ' A' ' 129' ' ' LEU . 36.6 tt0 -51.12 -58.19 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 112' ' ' GLU . 4.1 p -52.54 -42.94 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 116' ' ' VAL . 60.9 mm-40 -57.78 -46.11 85.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.884 HD11 HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -66.83 -37.8 85.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.1 mt -75.13 -19.82 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -97.26 -20.21 18.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 112' ' ' GLU . 97.0 t -103.06 -59.9 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 117' ' ' LEU . 3.5 mm? -78.28 -21.17 50.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt 64.2 41.92 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.884 HD12 HD11 ' A' ' 113' ' ' LEU . 25.4 mt -86.42 112.3 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.144 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -106.74 -33.46 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.502 HD23 ' CD2' ' A' ' 124' ' ' HIS . 12.2 tp -55.44 132.22 47.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.71 -58.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -46.65 -62.22 3.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.502 ' CD2' HD23 ' A' ' 121' ' ' LEU . 28.3 m170 -54.5 -59.04 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.57 -63.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.466 ' HG3' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -49.47 -38.78 31.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -52.71 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.523 HD12 HD21 ' A' ' 82' ' ' LEU . 20.9 mm -61.58 -57.42 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 110' ' ' GLU . 3.0 mp -51.47 -55.88 16.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.21 -44.62 71.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 t -54.96 -57.31 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.408 HD11 ' HB3' ' A' ' 105' ' ' LEU . 24.7 mt -60.55 -46.85 88.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 83.61 39.45 9.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -83.24 166.33 18.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.894 -179.887 . . . . . . . . 0 0 . 1 stop_ save_