data_2n57_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 2n57 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -78.62 -45.17 22.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.68 -57.46 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -52.94 -41.12 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -63.62 -60.32 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.7 t -51.67 -55.67 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -53.05 -48.37 67.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -54.63 -53.33 56.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.5 mt -58.17 -37.55 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.11 -38.19 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.2 t -72.65 -34.2 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -81.22 -26.13 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -86.81 -55.26 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.8 mt -74.34 -33.99 63.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.63 30.26 40.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.472 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.3 m -106.91 -173.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -78.23 148.22 34.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.12 -38.33 52.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -53.7 -39.92 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -65.2 -26.02 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.1 79.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.6 p -110.79 165.08 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -52.39 -37.64 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.79 31.14 6.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.97 109.87 21.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -90.87 117.17 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -62.69 -13.31 30.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.2 mm -84.33 -53.42 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.79 -60.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -42.9 -42.87 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.0 mt -100.03 -16.1 18.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.73 34.03 59.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.76 171.59 7.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.28 178.96 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.8 t -52.64 -32.45 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.21 -56.11 21.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -52.99 -47.37 68.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.4 m -55.92 -49.11 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -57.35 -52.12 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -52.66 -51.58 59.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.67 -49.84 71.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.3 t -53.23 -48.67 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.0 mmt -59.5 -45.2 92.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.5 -51.63 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.81 -40.09 94.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.69 -41.73 95.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -32.88 60.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.08 -53.87 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -79.71 -24.48 41.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.52 56.41 3.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.2 m -120.48 177.15 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -134.11 110.35 9.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.38 155.98 64.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.66 16.06 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -73.18 -38.82 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.34 -26.15 60.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.75 -47.2 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.73 -25.74 41.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -78.81 -29.08 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.5 p -83.58 -18.78 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.7 mt -86.76 102.5 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.1 mt -110.42 -58.89 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.6 p -97.87 167.0 11.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.8 t -51.92 -47.79 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.15 -35.33 41.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.0 -55.96 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.335 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.24 -47.02 84.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.47 -54.17 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -55.41 -37.47 67.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -55.52 20.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.7 mt -55.32 -39.56 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -68.19 -40.01 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -65.49 -47.29 76.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.26 -25.27 60.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -58.93 -30.36 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.6 m -66.17 -48.56 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.7 -48.08 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.74 -54.84 24.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -56.78 -42.59 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.21 -64.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -53.75 -32.32 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -64.66 -57.59 8.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.75 -32.77 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -67.92 -45.7 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.2 t -69.95 -31.2 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -81.26 -25.16 36.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -87.84 -54.69 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.15 -30.34 60.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.0 32.82 56.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.454 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 m -106.9 -177.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.76 140.11 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.47 -29.88 65.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -55.19 -26.6 40.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -83.8 -26.1 29.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.93 80.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -118.57 167.77 11.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -53.05 -32.23 45.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.36 8.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.67 109.68 21.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.781 0.324 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -91.11 116.4 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -62.73 -13.19 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.7 mm -84.22 -53.56 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -94.95 -60.73 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -42.87 -42.28 3.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.61 -16.42 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.74 34.72 59.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.4 171.54 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -108.14 176.09 5.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 p -52.05 -39.94 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.01 -51.88 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -51.15 60.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -47.72 78.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.4 t -54.75 -51.51 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -56.68 -52.68 63.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mt -53.18 -50.78 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.1 t -54.23 -52.27 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 21.8 mtt -54.69 -42.94 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.62 -53.87 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -55.51 -42.23 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -35.79 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.41 -27.47 60.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -84.39 -42.15 15.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -80.25 -24.46 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.22 48.24 7.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.4 m -119.87 163.32 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.092 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -123.96 111.49 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.7 pt -126.22 155.97 73.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.728 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 148.11 64.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -52.25 -39.43 60.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -53.1 -28.96 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.14 -53.61 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.57 -26.76 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -86.0 -26.04 25.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.8 p -81.03 -18.85 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 52.6 mt -85.01 109.99 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -110.51 -41.02 4.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.2 p -115.23 167.24 11.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.5 t -53.11 -38.43 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.02 38.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.49 -55.38 35.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.66 -47.77 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.5 t -62.8 -57.04 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -34.65 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -60.44 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.3 mt -56.76 -26.98 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -76.64 -60.19 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -57.38 -29.92 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.7 -25.31 41.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 p -58.62 -32.61 69.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.882 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.88 0.371 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 m -67.74 -53.43 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.73 -53.1 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -51.84 -49.71 62.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -56.07 -46.75 78.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.01 -64.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -52.65 -29.58 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -66.98 -57.76 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.32 -29.26 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.4 t -71.02 -47.46 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.3 t -70.39 -29.25 38.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -81.16 -25.37 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -54.75 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.44 -25.56 59.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.53 34.84 79.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 m -106.88 -173.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.75 142.09 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.15 -31.71 58.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -55.2 -26.73 41.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -82.97 -26.04 31.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -71.81 80.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.8 p -118.85 166.75 12.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.07 -29.16 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.55 29.46 11.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.96 109.54 21.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -91.04 116.61 28.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -62.83 -13.13 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.2 mm -84.36 -53.6 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.79 -60.79 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -42.92 -42.61 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.25 -16.31 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.82 34.14 59.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.62 169.79 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -105.49 -179.99 4.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 m -55.96 -33.37 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.19 -54.29 48.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -51.96 -53.36 42.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -53.32 50.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.2 t -52.63 -44.81 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -58.99 -55.11 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -54.21 -53.85 47.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.73 -47.89 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.4 mtp -58.66 -43.31 89.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.21 -52.49 65.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -57.6 -44.23 85.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -40.25 93.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -71.75 -30.08 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.09 -36.88 47.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -83.95 -24.43 30.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.21 24.79 33.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -106.96 145.99 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 111.102 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -116.76 121.31 41.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.1 pt -126.21 155.96 72.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 158.78 55.81 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.06 -25.15 61.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -69.02 -46.54 67.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.78 -34.86 71.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.51 -24.9 49.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.94 -24.45 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.0 p -77.65 -18.72 56.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.6 mm -65.91 91.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.3 mt -110.49 -58.93 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.6 p -107.07 165.67 11.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.67 -43.26 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.09 -43.74 56.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.9 -55.94 24.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.28 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.1 t -54.6 -55.51 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -52.74 -35.57 56.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -59.53 3.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.2 mt -52.31 -37.2 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -71.37 -40.03 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -25.77 62.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.31 -25.03 20.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -58.6 -27.41 64.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.5 m -71.3 -55.3 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.68 -55.03 21.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -51.83 -48.13 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -56.2 -45.84 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.2 -64.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -53.31 -29.59 34.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -67.08 -57.38 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.2 mt -61.12 -30.24 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.7 t -70.47 -47.78 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.7 t -69.67 -29.23 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -81.32 -24.94 36.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.64 -54.84 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.34 -27.81 60.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.11 32.91 65.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.1 m -106.79 -174.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 111.161 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.3 143.41 42.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.55 -32.45 53.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.98 -33.69 62.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -70.55 -24.99 62.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.1 t -73.96 75.03 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -105.51 163.67 12.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -52.25 -35.01 48.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.93 32.34 7.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.14 110.34 22.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.347 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.2 p -89.96 116.95 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -62.66 -13.38 31.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -84.53 -53.33 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.81 -60.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.93 -42.83 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.2 mt -100.05 -16.06 18.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.43 34.62 60.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.509 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.9 170.62 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.6 177.32 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.0 t -52.57 -29.61 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.6 tp -55.29 -58.82 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -52.81 -45.42 67.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.7 m -57.61 -51.49 69.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.4 t -55.47 -53.18 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.44 -51.01 61.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -56.73 -50.6 71.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.8 t -51.58 -50.99 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.2 mmm -58.26 -46.58 85.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.58 24.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -61.37 -35.22 76.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -59.45 -50.04 75.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -74.57 -26.69 60.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -65.94 -48.12 72.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -87.8 -24.45 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.84 55.03 2.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.72 170.63 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 111.139 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -134.41 106.94 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 pt -126.21 155.8 73.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.674 0.749 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.7 48.75 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -73.42 -24.64 60.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -70.25 -49.57 48.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.29 -24.97 46.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.7 65.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -73.19 -24.97 60.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -77.6 -18.84 56.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.1 mt -78.55 93.21 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.54 -53.99 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -89.96 156.76 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.198 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.7 t -51.67 -47.61 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.25 -32.96 37.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.73 -55.97 9.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.78 77.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.3 t -60.11 -54.08 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -55.27 -34.75 64.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -57.04 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.4 mt -54.01 -39.66 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -69.44 -41.13 76.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -63.85 -48.25 77.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.93 -25.81 61.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -58.71 -35.74 73.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.132 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.899 0.381 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.7 m -68.12 -47.45 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.66 35.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.77 -49.73 62.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -45.16 79.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.0 t -61.12 -63.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -52.89 -28.81 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -68.73 -55.29 11.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.12 -26.06 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.1 t -75.37 -48.0 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.54 -29.07 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.24 -24.97 36.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -90.12 -54.66 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.32 -27.24 60.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.35 33.24 68.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.8 m -106.89 -173.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 111.102 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -75.35 141.48 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.43 -32.2 54.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -55.12 -32.97 62.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.3 mttt -68.58 -24.88 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.6 t -61.74 94.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.7 p -124.61 151.91 44.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -52.11 -33.9 41.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.58 32.35 7.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.52 111.49 23.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -88.66 116.47 26.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -62.41 -13.56 31.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.2 mm -84.56 -53.37 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.8 -60.98 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -42.7 -42.65 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.2 mt -99.99 -16.74 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.14 37.01 60.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.22 172.2 7.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -107.22 176.0 5.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -52.03 -33.21 37.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.1 mt -51.98 -57.3 9.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -43.07 71.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -60.55 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.87 -29.67 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -68.14 -55.39 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.61 -43.22 93.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.58 -50.77 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 29.9 mmm -55.91 -50.24 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.14 82.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.08 -45.99 82.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -35.83 82.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -75.71 -24.55 56.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -84.78 -46.81 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -79.69 -24.44 41.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.96 55.65 3.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -130.2 146.93 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 111.125 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -108.1 119.14 38.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.2 pt -126.23 155.99 73.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 172.11 13.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -68.6 -41.5 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -56.04 -25.6 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.69 -54.72 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.82 -25.22 40.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.82 -26.07 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.2 p -86.28 -18.81 31.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.0 mt -88.69 99.55 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.55 -54.06 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.3 p -97.85 164.72 12.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.79 -47.86 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.08 -31.81 34.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -55.96 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.72 -44.93 82.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.15 -50.38 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -59.76 -30.48 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -54.92 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 53.9 mt -57.81 -36.97 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -71.58 -48.81 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.29 -25.78 67.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.67 -24.73 23.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 p -58.62 -29.32 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.2 t0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.3 m -66.98 -47.41 71.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.21 -49.32 64.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -52.07 -45.54 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -62.71 -55.96 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.3 t -51.81 -55.55 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -53.74 -48.85 69.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -51.89 -53.02 45.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.44 -35.99 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.93 -32.09 54.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.0 t -80.9 -32.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.22 -24.94 37.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -90.98 -49.02 6.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.11 -32.14 44.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.2 34.55 46.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.6 m -106.87 -178.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -85.92 140.29 30.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.42 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -27.96 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -88.86 -25.47 22.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.76 85.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.1 p -125.5 157.73 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -52.19 -29.63 23.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.69 30.14 7.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.14 112.39 24.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -88.25 117.22 27.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -62.64 -13.41 31.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.3 mm -84.48 -53.53 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.84 -60.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -42.97 -42.53 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.29 -16.17 17.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.64 34.16 60.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.491 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.68 172.86 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -109.67 178.24 4.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.4 p -52.09 -34.91 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.77 -51.66 59.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -56.2 -47.35 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 m -56.51 -47.15 79.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.27 -53.64 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -52.01 -49.15 63.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.09 -52.18 66.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.5 t -51.92 -47.87 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.9 mtp -59.94 -45.74 91.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.6 -55.27 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -58.61 -40.13 82.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.79 -38.64 88.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -77.44 -28.44 52.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.04 -53.02 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -79.89 -24.51 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.5 59.44 3.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -119.69 174.97 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.38 109.02 13.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 pp -126.16 153.1 74.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.75 48.56 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.374 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -72.48 -26.25 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.45 -26.19 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.77 -35.64 44.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.57 -28.16 44.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -89.0 -26.12 21.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.4 p -77.55 -18.8 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.2 mt -92.51 108.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.87 -58.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.0 p -100.09 164.53 11.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.1 t -51.61 -41.33 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.31 52.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -67.93 -55.86 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.87 -51.74 59.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.43 -52.99 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -56.44 -30.0 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -52.09 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.33 -36.64 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -71.78 -51.07 24.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -60.16 -31.39 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.75 -26.52 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 t -58.93 -45.71 89.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 m -73.99 -43.26 58.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.57 -52.9 60.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.9 -44.43 74.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -59.0 -56.51 21.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.73 -56.6 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -51.83 -44.56 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.53 -54.61 43.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.3 -30.56 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.9 t -75.04 -34.22 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.0 t -75.46 -35.07 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -81.18 -26.14 36.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -88.77 -54.31 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.39 -34.61 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.9 25.62 52.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 m -106.96 179.39 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -75.51 145.74 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.5 -36.45 57.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.78 -38.76 64.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -68.13 -25.89 65.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.86 86.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.8 p -113.51 164.73 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -53.6 -32.91 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.55 32.31 6.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.77 109.72 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.0 m -90.93 116.3 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -62.53 -13.33 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -84.38 -53.52 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.75 -60.82 1.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.66 -42.48 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.3 mt -100.28 -16.76 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.56 35.92 59.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.56 -173.98 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -123.0 175.97 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -51.9 -36.44 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 mt -52.75 -50.32 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -51.36 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.6 m -53.15 -50.23 64.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -56.07 -51.79 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.18 -52.42 52.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -54.53 -51.53 64.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.1 t -51.71 -50.12 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 mtp -56.93 -49.08 76.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.68 -48.71 69.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -61.24 -41.69 97.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -61.25 -40.14 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -77.77 -26.14 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.78 -54.68 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -79.79 -24.45 41.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.41 20.93 46.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 m -93.13 142.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -112.81 115.75 28.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.5 pt -126.2 156.0 72.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 169.09 19.64 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -68.11 -33.86 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -55.15 -26.58 39.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.28 -30.36 59.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.47 -25.57 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.58 5.71 38.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 p -116.8 -18.79 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.5 mt -93.56 103.79 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 mt -110.49 -42.83 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.1 p -116.06 168.49 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.64 -47.51 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.14 -40.72 52.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.96 -55.93 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.78 -53.24 60.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.54 -53.15 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -56.19 -34.49 66.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -54.16 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.9 mt -58.27 -37.16 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -71.62 -39.74 70.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -69.26 -37.55 77.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.48 -25.19 38.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -63.27 -43.04 99.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.935 0.398 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.3 m -71.82 -44.9 63.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.74 -50.19 61.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.07 -47.85 64.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -59.31 -56.1 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.6 t -51.88 -54.34 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -51.86 -51.84 53.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -52.27 -58.66 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.4 mt -51.88 -39.29 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -68.19 -37.55 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.6 t -66.97 -39.46 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -81.23 -26.19 36.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.14 -59.51 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.3 -34.62 63.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.63 29.3 29.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.6 m -107.03 177.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.106 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.6 151.66 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.64 -33.94 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -55.31 -29.77 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -80.48 -25.72 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.1 t -66.93 88.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 p -119.95 153.53 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.11 -29.87 23.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.51 31.34 7.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.09 111.8 24.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.808 0.337 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.0 p -87.3 115.88 25.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -62.26 -13.77 31.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mm -84.79 -53.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.194 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.58 -61.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.59 -43.02 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -99.55 -17.08 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.64 31.6 58.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.18 174.21 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -112.86 -178.75 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.3 t -51.36 -32.45 25.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.13 -51.96 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -55.08 -50.25 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 m -53.75 -51.09 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.8 t -55.81 -49.76 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.55 -52.28 60.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.8 -50.51 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.0 -49.54 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.8 mmt -56.69 -50.86 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.11 -48.5 67.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -63.67 -34.66 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.42 -42.22 92.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -78.44 -25.85 46.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -78.31 -55.75 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -79.72 -24.54 41.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.33 40.88 18.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.6 m -110.33 159.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.087 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -118.48 120.19 36.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 pp -126.31 153.07 74.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 161.42 46.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 0.0 112.379 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.6 -27.5 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.05 -26.23 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.36 -27.68 48.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.97 -24.48 53.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.66 -25.98 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.1 p -77.58 -18.78 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.6 mt -84.12 111.92 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 mt -110.5 -59.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.9 p -119.06 178.84 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -51.74 -42.68 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.29 -38.33 49.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.7 -56.04 10.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.3 -51.6 64.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.68 -55.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -54.44 -31.7 55.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -57.38 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.6 mt -55.32 -36.48 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.56 -42.43 64.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -63.62 -39.3 94.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.53 -27.54 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 t -58.8 -30.26 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -79.53 -38.73 33.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.86 -54.57 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -52.05 -53.91 36.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -53.29 -52.04 60.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.6 t -51.88 -63.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -51.86 -33.16 35.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -62.23 -58.9 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.4 mt -60.79 -30.43 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.54 -41.64 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.0 t -74.82 -31.04 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -81.3 -24.94 36.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -86.77 -56.78 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.34 -26.84 60.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.81 34.98 62.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.5 m -106.86 -173.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -84.45 146.52 27.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.41 -27.19 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.5 -26.76 67.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -82.82 -25.74 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 t -68.48 88.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -114.94 159.41 20.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -51.83 -41.95 62.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.23 32.36 6.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.77 110.17 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -86.35 116.47 24.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -62.18 -13.76 30.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.8 mm -84.83 -53.32 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -94.46 -61.34 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.56 -41.88 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.13 -21.16 15.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.71 21.57 61.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.04 169.92 11.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.15 -176.48 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.8 m -51.76 -30.51 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.0 mt -52.06 -49.84 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -64.09 -36.44 84.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.1 m -60.48 -60.86 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.3 t -63.12 -36.25 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.3 -48.81 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tp -62.69 -46.63 87.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.4 t -58.5 -45.92 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.7 mtp -61.48 -48.15 82.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.38 -54.1 47.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -57.1 -44.3 83.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.05 -39.86 83.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.14 -26.65 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.76 -51.61 12.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.77 -24.46 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.95 53.38 5.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.6 m -117.51 179.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -134.41 113.04 11.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.2 pt -126.24 155.96 73.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.729 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 171.69 14.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -73.31 -33.24 65.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.28 -25.15 63.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.35 60.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.64 -26.47 33.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -86.18 -26.13 25.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.5 p -87.5 -18.94 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.5 mt -92.32 98.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.74 -55.47 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 p -93.54 171.34 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.61 -48.5 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.33 -31.72 35.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -69.15 -56.08 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.07 -39.44 78.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.57 -54.73 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -57.6 -33.5 68.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -58.29 4.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.9 mt -55.56 -36.71 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -70.85 -42.15 70.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -62.37 -44.34 96.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.89 -25.22 48.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -58.67 -27.56 64.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.89 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.5 m -65.91 -48.47 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.77 -53.36 40.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.95 -42.68 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -61.83 -50.27 72.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.8 t -57.42 -60.07 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -51.88 -42.35 62.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -57.05 -58.71 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.3 mt -56.41 -33.76 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.75 -42.3 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.9 t -67.92 -35.26 71.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -81.18 -25.87 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -83.42 -57.66 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.41 -30.93 62.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.45 33.79 38.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.7 m -106.93 -178.42 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -83.29 145.3 29.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.07 -32.25 63.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -54.73 -27.11 38.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -86.66 -26.51 24.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -64.61 92.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.7 p -124.1 154.23 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.89 -29.87 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.45 31.29 6.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.438 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.05 112.7 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.9 m -87.78 116.91 26.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -62.59 -13.41 31.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.0 mm -84.4 -53.65 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.97 -60.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -42.79 -42.05 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.69 -16.71 17.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.45 36.14 59.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.39 172.89 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -108.19 176.76 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.9 m -52.07 -32.87 36.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.7 tp -52.01 -55.66 19.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -58.61 -36.53 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 m -59.06 -60.54 3.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -61.45 -32.42 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -66.5 -55.51 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.98 -52.71 64.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.43 -53.18 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.98 -40.15 72.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.23 -54.47 45.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -56.54 -44.29 80.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -45.24 92.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -70.07 -27.0 64.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.36 -38.47 41.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -83.55 -24.44 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.52 31.98 8.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.8 m -118.62 159.3 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -125.33 131.07 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.2 pp -126.2 153.22 74.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.646 0.736 . . . . 0.0 111.196 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 164.54 34.12 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.59 -33.97 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -33.61 74.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.31 -27.09 63.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.9 -25.09 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -81.78 -26.18 34.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.2 p -77.68 -18.78 56.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.6 mt -90.72 100.27 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mt -110.5 -58.79 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.4 p -94.5 164.0 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -51.62 -43.95 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.57 -36.01 46.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -69.1 -55.94 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.79 -47.74 73.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.97 -54.74 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -54.1 -32.87 56.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -57.56 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.5 mt -55.47 -34.65 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -77.51 -36.2 52.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -63.35 -44.98 93.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.55 5.85 37.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -63.88 -32.53 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.872 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.758 0.313 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -82.65 145.93 29.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -93.27 -46.88 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -78.62 -45.17 22.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.68 -57.46 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -52.94 -41.12 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -63.62 -60.32 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.7 t -51.67 -55.67 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -53.05 -48.37 67.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -54.63 -53.33 56.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.5 mt -58.17 -37.55 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.11 -38.19 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.2 t -72.65 -34.2 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -81.22 -26.13 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -86.81 -55.26 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.8 mt -74.34 -33.99 63.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.63 30.26 40.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.472 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.3 m -106.91 -173.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -78.23 148.22 34.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.12 -38.33 52.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -53.7 -39.92 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -65.2 -26.02 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.1 79.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.6 p -110.79 165.08 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -52.39 -37.64 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.79 31.14 6.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.97 109.87 21.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -90.87 117.17 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -62.69 -13.31 30.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.2 mm -84.33 -53.42 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.79 -60.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -42.9 -42.87 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.0 mt -100.03 -16.1 18.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.73 34.03 59.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.76 171.59 7.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.28 178.96 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.8 t -52.64 -32.45 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.21 -56.11 21.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -52.99 -47.37 68.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.4 m -55.92 -49.11 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -57.35 -52.12 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -52.66 -51.58 59.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.67 -49.84 71.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.3 t -53.23 -48.67 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.0 mmt -59.5 -45.2 92.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.5 -51.63 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.81 -40.09 94.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.69 -41.73 95.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -32.88 60.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.08 -53.87 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -79.71 -24.48 41.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.52 56.41 3.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.2 m -120.48 177.15 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -134.11 110.35 9.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.38 155.98 64.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.66 16.06 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -73.18 -38.82 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.34 -26.15 60.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.75 -47.2 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.73 -25.74 41.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -78.81 -29.08 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.5 p -83.58 -18.78 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.7 mt -86.76 102.5 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.1 mt -110.42 -58.89 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.6 p -97.87 167.0 11.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.8 t -51.92 -47.79 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.15 -35.33 41.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.0 -55.96 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.335 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.24 -47.02 84.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -60.47 -54.17 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -55.41 -37.47 67.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -55.52 20.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.7 mt -55.32 -39.56 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -68.19 -40.01 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -65.49 -47.29 76.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.26 -25.27 60.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -58.93 -30.36 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 tpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.785 0.326 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -119.52 159.12 24.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -53.61 -39.95 65.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 52.6 m -66.17 -48.56 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.7 -48.08 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.74 -54.84 24.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -56.78 -42.59 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.4 t -63.21 -64.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -53.75 -32.32 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -64.66 -57.59 8.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.75 -32.77 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -67.92 -45.7 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.2 t -69.95 -31.2 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -81.26 -25.16 36.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -87.84 -54.69 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.15 -30.34 60.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.0 32.82 56.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.454 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 m -106.9 -177.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.76 140.11 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.47 -29.88 65.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -55.19 -26.6 40.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -83.8 -26.1 29.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.93 80.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -118.57 167.77 11.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -53.05 -32.23 45.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.36 8.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.67 109.68 21.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.781 0.324 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -91.11 116.4 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -62.73 -13.19 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.7 mm -84.22 -53.56 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -94.95 -60.73 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -42.87 -42.28 3.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.61 -16.42 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.74 34.72 59.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.4 171.54 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -108.14 176.09 5.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 p -52.05 -39.94 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.01 -51.88 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -51.15 60.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.5 -47.72 78.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.4 t -54.75 -51.51 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -56.68 -52.68 63.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mt -53.18 -50.78 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.1 t -54.23 -52.27 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 21.8 mtt -54.69 -42.94 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.62 -53.87 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -55.51 -42.23 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -35.79 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.41 -27.47 60.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -84.39 -42.15 15.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -80.25 -24.46 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.22 48.24 7.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.4 m -119.87 163.32 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.092 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -123.96 111.49 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.7 pt -126.22 155.97 73.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.728 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 148.11 64.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -52.25 -39.43 60.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -53.1 -28.96 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.14 -53.61 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.57 -26.76 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -86.0 -26.04 25.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.8 p -81.03 -18.85 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 52.6 mt -85.01 109.99 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -110.51 -41.02 4.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.2 p -115.23 167.24 11.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.5 t -53.11 -38.43 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.02 38.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.49 -55.38 35.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -51.66 -47.77 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.5 t -62.8 -57.04 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -34.65 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -60.44 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.3 mt -56.76 -26.98 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -76.64 -60.19 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -57.38 -29.92 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.7 -25.31 41.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 p -58.62 -32.61 69.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.882 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m -159.73 132.83 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -98.21 -44.64 6.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 m -67.74 -53.43 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.73 -53.1 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -51.84 -49.71 62.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -56.07 -46.75 78.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.01 -64.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -52.65 -29.58 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -66.98 -57.76 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.32 -29.26 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.4 t -71.02 -47.46 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.3 t -70.39 -29.25 38.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -81.16 -25.37 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -54.75 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.44 -25.56 59.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.53 34.84 79.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 m -106.88 -173.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.75 142.09 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.15 -31.71 58.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -55.2 -26.73 41.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -82.97 -26.04 31.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -71.81 80.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.8 p -118.85 166.75 12.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.07 -29.16 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.55 29.46 11.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.96 109.54 21.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -91.04 116.61 28.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -62.83 -13.13 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.2 mm -84.36 -53.6 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.79 -60.79 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -42.92 -42.61 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.25 -16.31 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.82 34.14 59.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.62 169.79 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -105.49 -179.99 4.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 m -55.96 -33.37 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.19 -54.29 48.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -51.96 -53.36 42.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -53.32 50.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.2 t -52.63 -44.81 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -58.99 -55.11 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -54.21 -53.85 47.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.73 -47.89 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.4 mtp -58.66 -43.31 89.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.21 -52.49 65.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -57.6 -44.23 85.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -40.25 93.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -71.75 -30.08 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.09 -36.88 47.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -83.95 -24.43 30.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.21 24.79 33.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -106.96 145.99 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 111.102 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -116.76 121.31 41.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.1 pt -126.21 155.96 72.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 158.78 55.81 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.06 -25.15 61.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -69.02 -46.54 67.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.78 -34.86 71.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.51 -24.9 49.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.94 -24.45 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.0 p -77.65 -18.72 56.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.6 mm -65.91 91.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.3 mt -110.49 -58.93 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.6 p -107.07 165.67 11.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.67 -43.26 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.09 -43.74 56.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.9 -55.94 24.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.28 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.1 t -54.6 -55.51 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -52.74 -35.57 56.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -59.53 3.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.2 mt -52.31 -37.2 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -71.37 -40.03 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -25.77 62.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.31 -25.03 20.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -58.6 -27.41 64.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.782 0.325 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -99.56 142.23 31.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -104.53 -35.29 7.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.5 m -71.3 -55.3 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.68 -55.03 21.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -51.83 -48.13 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -56.2 -45.84 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.2 -64.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -53.31 -29.59 34.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -67.08 -57.38 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.2 mt -61.12 -30.24 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.7 t -70.47 -47.78 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.7 t -69.67 -29.23 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -81.32 -24.94 36.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.64 -54.84 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.34 -27.81 60.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.11 32.91 65.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.1 m -106.79 -174.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 111.161 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.3 143.41 42.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.55 -32.45 53.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.98 -33.69 62.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -70.55 -24.99 62.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.1 t -73.96 75.03 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -105.51 163.67 12.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -52.25 -35.01 48.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.93 32.34 7.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.14 110.34 22.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.347 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.2 p -89.96 116.95 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -62.66 -13.38 31.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -84.53 -53.33 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.81 -60.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.93 -42.83 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.2 mt -100.05 -16.06 18.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.43 34.62 60.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.509 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.9 170.62 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.6 177.32 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.0 t -52.57 -29.61 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.6 tp -55.29 -58.82 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -52.81 -45.42 67.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.7 m -57.61 -51.49 69.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.4 t -55.47 -53.18 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.44 -51.01 61.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -56.73 -50.6 71.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.8 t -51.58 -50.99 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.2 mmm -58.26 -46.58 85.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.58 24.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -61.37 -35.22 76.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -59.45 -50.04 75.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -74.57 -26.69 60.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -65.94 -48.12 72.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -87.8 -24.45 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.84 55.03 2.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.72 170.63 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 111.139 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -134.41 106.94 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 pt -126.21 155.8 73.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.674 0.749 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.7 48.75 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -73.42 -24.64 60.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -70.25 -49.57 48.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.29 -24.97 46.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.7 65.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -73.19 -24.97 60.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -77.6 -18.84 56.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.1 mt -78.55 93.21 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.54 -53.99 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -89.96 156.76 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.198 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.7 t -51.67 -47.61 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.25 -32.96 37.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.73 -55.97 9.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.78 77.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.3 t -60.11 -54.08 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -55.27 -34.75 64.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -57.04 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.4 mt -54.01 -39.66 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -69.44 -41.13 76.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -63.85 -48.25 77.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.93 -25.81 61.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -58.71 -35.74 73.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.132 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -149.94 145.0 26.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -97.06 -41.85 8.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.7 m -68.12 -47.45 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.66 35.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.77 -49.73 62.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -45.16 79.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.0 t -61.12 -63.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -52.89 -28.81 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -68.73 -55.29 11.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.3 mt -64.12 -26.06 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.1 t -75.37 -48.0 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.54 -29.07 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.24 -24.97 36.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -90.12 -54.66 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.32 -27.24 60.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.35 33.24 68.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.8 m -106.89 -173.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 111.102 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -75.35 141.48 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.43 -32.2 54.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -55.12 -32.97 62.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.3 mttt -68.58 -24.88 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.6 t -61.74 94.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.7 p -124.61 151.91 44.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -52.11 -33.9 41.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.58 32.35 7.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.52 111.49 23.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -88.66 116.47 26.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -62.41 -13.56 31.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.2 mm -84.56 -53.37 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.8 -60.98 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -42.7 -42.65 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.2 mt -99.99 -16.74 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.14 37.01 60.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.22 172.2 7.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -107.22 176.0 5.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -52.03 -33.21 37.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.1 mt -51.98 -57.3 9.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -43.07 71.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -60.55 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.87 -29.67 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -68.14 -55.39 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.61 -43.22 93.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.6 t -61.58 -50.77 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 29.9 mmm -55.91 -50.24 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.14 82.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -57.08 -45.99 82.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.75 -35.83 82.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -75.71 -24.55 56.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -84.78 -46.81 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -79.69 -24.44 41.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.96 55.65 3.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -130.2 146.93 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 111.125 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -108.1 119.14 38.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.2 pt -126.23 155.99 73.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 172.11 13.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -68.6 -41.5 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -56.04 -25.6 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.69 -54.72 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.82 -25.22 40.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.82 -26.07 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.2 p -86.28 -18.81 31.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.0 mt -88.69 99.55 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.55 -54.06 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.3 p -97.85 164.72 12.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.79 -47.86 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.08 -31.81 34.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -55.96 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.72 -44.93 82.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.15 -50.38 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -59.76 -30.48 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -54.92 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 53.9 mt -57.81 -36.97 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -71.58 -48.81 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.29 -25.78 67.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.67 -24.73 23.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 p -58.62 -29.32 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p -122.86 108.28 12.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -92.75 -62.3 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.3 m -66.98 -47.41 71.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.21 -49.32 64.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -52.07 -45.54 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -62.71 -55.96 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.3 t -51.81 -55.55 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -53.74 -48.85 69.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -51.89 -53.02 45.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.44 -35.99 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.93 -32.09 54.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 66.0 t -80.9 -32.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.22 -24.94 37.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -90.98 -49.02 6.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.11 -32.14 44.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.2 34.55 46.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.6 m -106.87 -178.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -85.92 140.29 30.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.42 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -27.96 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -88.86 -25.47 22.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.76 85.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.1 p -125.5 157.73 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -52.19 -29.63 23.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.69 30.14 7.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.14 112.39 24.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -88.25 117.22 27.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -62.64 -13.41 31.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.3 mm -84.48 -53.53 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.84 -60.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -42.97 -42.53 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.29 -16.17 17.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.64 34.16 60.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.491 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.68 172.86 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -109.67 178.24 4.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.4 p -52.09 -34.91 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.77 -51.66 59.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -56.2 -47.35 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 m -56.51 -47.15 79.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.6 t -59.27 -53.64 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -52.01 -49.15 63.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.09 -52.18 66.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.5 t -51.92 -47.87 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.9 mtp -59.94 -45.74 91.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.6 -55.27 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -58.61 -40.13 82.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.79 -38.64 88.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -77.44 -28.44 52.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.04 -53.02 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -79.89 -24.51 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.5 59.44 3.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -119.69 174.97 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.38 109.02 13.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 pp -126.16 153.1 74.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.75 48.56 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.374 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -72.48 -26.25 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.45 -26.19 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.77 -35.64 44.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.57 -28.16 44.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -89.0 -26.12 21.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.4 p -77.55 -18.8 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.2 mt -92.51 108.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.87 -58.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.0 p -100.09 164.53 11.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.1 t -51.61 -41.33 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.31 52.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -67.93 -55.86 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.87 -51.74 59.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.43 -52.99 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -56.44 -30.0 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -52.09 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.33 -36.64 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -71.78 -51.07 24.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -60.16 -31.39 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.75 -26.52 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 t -58.93 -45.71 89.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mtt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.804 0.335 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -76.99 112.29 13.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -92.9 -41.84 9.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.7 m -73.99 -43.26 58.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.57 -52.9 60.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.9 -44.43 74.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -59.0 -56.51 21.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.1 t -51.73 -56.6 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -51.83 -44.56 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.53 -54.61 43.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.3 -30.56 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.9 t -75.04 -34.22 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.0 t -75.46 -35.07 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -81.18 -26.14 36.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -88.77 -54.31 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.39 -34.61 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.9 25.62 52.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 m -106.96 179.39 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -75.51 145.74 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.5 -36.45 57.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.78 -38.76 64.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -68.13 -25.89 65.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.86 86.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.8 p -113.51 164.73 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -53.6 -32.91 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.55 32.31 6.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.77 109.72 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.0 m -90.93 116.3 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -62.53 -13.33 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -84.38 -53.52 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.75 -60.82 1.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.66 -42.48 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.3 mt -100.28 -16.76 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.56 35.92 59.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -98.56 -173.98 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -123.0 175.97 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -51.9 -36.44 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 mt -52.75 -50.32 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -51.36 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.6 m -53.15 -50.23 64.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -56.07 -51.79 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.18 -52.42 52.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -54.53 -51.53 64.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.1 t -51.71 -50.12 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 mtp -56.93 -49.08 76.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.68 -48.71 69.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -61.24 -41.69 97.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -61.25 -40.14 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -77.77 -26.14 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.78 -54.68 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -79.79 -24.45 41.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.41 20.93 46.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 m -93.13 142.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -112.81 115.75 28.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.5 pt -126.2 156.0 72.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 169.09 19.64 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -68.11 -33.86 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -55.15 -26.58 39.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.28 -30.36 59.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.47 -25.57 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.58 5.71 38.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 p -116.8 -18.79 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 78.5 mt -93.56 103.79 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 mt -110.49 -42.83 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.1 p -116.06 168.49 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.4 t -51.64 -47.51 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.14 -40.72 52.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.96 -55.93 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.78 -53.24 60.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.54 -53.15 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -56.19 -34.49 66.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -54.16 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.9 mt -58.27 -37.16 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -71.62 -39.74 70.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -69.26 -37.55 77.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.48 -25.19 38.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -63.27 -43.04 99.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -128.46 151.87 48.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -94.43 -45.27 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.3 m -71.82 -44.9 63.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.74 -50.19 61.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.07 -47.85 64.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -59.31 -56.1 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.6 t -51.88 -54.34 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -51.86 -51.84 53.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -52.27 -58.66 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.4 mt -51.88 -39.29 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -68.19 -37.55 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.6 t -66.97 -39.46 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -81.23 -26.19 36.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.14 -59.51 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.3 -34.62 63.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.63 29.3 29.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.6 m -107.03 177.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.106 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.6 151.66 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.64 -33.94 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -55.31 -29.77 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -80.48 -25.72 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.1 t -66.93 88.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 p -119.95 153.53 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.11 -29.87 23.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.51 31.34 7.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.09 111.8 24.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.808 0.337 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.0 p -87.3 115.88 25.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -62.26 -13.77 31.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mm -84.79 -53.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.194 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.58 -61.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.59 -43.02 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -99.55 -17.08 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.64 31.6 58.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -99.18 174.21 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -112.86 -178.75 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.3 t -51.36 -32.45 25.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.13 -51.96 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -55.08 -50.25 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 m -53.75 -51.09 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.8 t -55.81 -49.76 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.55 -52.28 60.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.8 -50.51 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.0 -49.54 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.8 mmt -56.69 -50.86 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.11 -48.5 67.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -63.67 -34.66 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.42 -42.22 92.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -78.44 -25.85 46.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -78.31 -55.75 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -79.72 -24.54 41.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.33 40.88 18.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.6 m -110.33 159.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.087 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -118.48 120.19 36.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.7 pp -126.31 153.07 74.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 161.42 46.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 0.0 112.379 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.6 -27.5 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.05 -26.23 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.36 -27.68 48.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.97 -24.48 53.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.66 -25.98 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.1 p -77.58 -18.78 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.6 mt -84.12 111.92 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 mt -110.5 -59.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.9 p -119.06 178.84 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -51.74 -42.68 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.29 -38.33 49.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.7 -56.04 10.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.3 -51.6 64.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.68 -55.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -54.44 -31.7 55.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -57.38 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.6 mt -55.32 -36.48 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.56 -42.43 64.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -63.62 -39.3 94.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.53 -27.54 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 t -58.8 -30.26 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -90.26 146.36 24.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -104.17 -46.25 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -79.53 -38.73 33.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.86 -54.57 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -52.05 -53.91 36.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -53.29 -52.04 60.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.6 t -51.88 -63.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -51.86 -33.16 35.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -62.23 -58.9 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.4 mt -60.79 -30.43 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.54 -41.64 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.0 t -74.82 -31.04 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -81.3 -24.94 36.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -86.77 -56.78 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.34 -26.84 60.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.81 34.98 62.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.5 m -106.86 -173.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -84.45 146.52 27.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.41 -27.19 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.5 -26.76 67.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -82.82 -25.74 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 t -68.48 88.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -114.94 159.41 20.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -51.83 -41.95 62.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.23 32.36 6.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.77 110.17 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -86.35 116.47 24.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -62.18 -13.76 30.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.8 mm -84.83 -53.32 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -94.46 -61.34 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.56 -41.88 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.13 -21.16 15.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.71 21.57 61.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.04 169.92 11.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.15 -176.48 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.8 m -51.76 -30.51 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.0 mt -52.06 -49.84 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -64.09 -36.44 84.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.1 m -60.48 -60.86 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.3 t -63.12 -36.25 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.3 -48.81 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tp -62.69 -46.63 87.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.4 t -58.5 -45.92 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.7 mtp -61.48 -48.15 82.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.38 -54.1 47.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -57.1 -44.3 83.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.05 -39.86 83.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.14 -26.65 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.76 -51.61 12.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.77 -24.46 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.95 53.38 5.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.6 m -117.51 179.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -134.41 113.04 11.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.2 pt -126.24 155.96 73.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.729 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 171.69 14.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -73.31 -33.24 65.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.28 -25.15 63.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.35 60.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.64 -26.47 33.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -86.18 -26.13 25.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.5 p -87.5 -18.94 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.5 mt -92.32 98.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.74 -55.47 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 p -93.54 171.34 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.61 -48.5 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.33 -31.72 35.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -69.15 -56.08 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.07 -39.44 78.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.57 -54.73 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -57.6 -33.5 68.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -58.29 4.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.9 mt -55.56 -36.71 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -70.85 -42.15 70.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -62.37 -44.34 96.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.89 -25.22 48.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -58.67 -27.56 64.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.89 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -120.67 119.15 32.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.75 -60.34 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.5 m -65.91 -48.47 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.77 -53.36 40.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.95 -42.68 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -61.83 -50.27 72.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.8 t -57.42 -60.07 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -51.88 -42.35 62.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -57.05 -58.71 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.3 mt -56.41 -33.76 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -69.75 -42.3 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.9 t -67.92 -35.26 71.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -81.18 -25.87 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -83.42 -57.66 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.41 -30.93 62.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.45 33.79 38.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.7 m -106.93 -178.42 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -83.29 145.3 29.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.07 -32.25 63.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -54.73 -27.11 38.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -86.66 -26.51 24.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -64.61 92.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.7 p -124.1 154.23 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.89 -29.87 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.45 31.29 6.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.438 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.05 112.7 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.9 m -87.78 116.91 26.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -62.59 -13.41 31.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.0 mm -84.4 -53.65 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.97 -60.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -42.79 -42.05 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.69 -16.71 17.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.45 36.14 59.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.39 172.89 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -108.19 176.76 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.9 m -52.07 -32.87 36.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.7 tp -52.01 -55.66 19.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -58.61 -36.53 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 m -59.06 -60.54 3.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -61.45 -32.42 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -66.5 -55.51 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.98 -52.71 64.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.43 -53.18 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.98 -40.15 72.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.23 -54.47 45.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -56.54 -44.29 80.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -45.24 92.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -70.07 -27.0 64.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.36 -38.47 41.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -83.55 -24.44 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.52 31.98 8.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.8 m -118.62 159.3 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -125.33 131.07 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.2 pp -126.2 153.22 74.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.646 0.736 . . . . 0.0 111.196 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 164.54 34.12 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.59 -33.97 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -33.61 74.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.31 -27.09 63.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.9 -25.09 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -81.78 -26.18 34.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.2 p -77.68 -18.78 56.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.6 mt -90.72 100.27 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mt -110.5 -58.79 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.4 p -94.5 164.0 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -51.62 -43.95 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.57 -36.01 46.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -69.1 -55.94 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.79 -47.74 73.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.97 -54.74 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -54.1 -32.87 56.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -57.56 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.5 mt -55.47 -34.65 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -77.51 -36.2 52.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -63.35 -44.98 93.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.55 5.85 37.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -63.88 -32.53 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.872 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.598 HG21 ' HB2' ' A' ' 74' ' ' ASP . 5.8 m -78.62 -45.17 22.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.465 ' HB1' ' HE3' ' A' ' 9' ' ' LYS . . . -51.68 -57.46 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -52.94 -41.12 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -63.62 -60.32 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 12' ' ' VAL . 78.7 t -51.67 -55.67 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 13' ' ' VAL . 28.4 mttm -53.05 -48.37 67.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -54.63 -53.33 56.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.5 mt -58.17 -37.55 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 8' ' ' VAL . 88.2 t -67.11 -38.19 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 18' ' ' VAL . 84.2 t -72.65 -34.2 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -81.22 -26.13 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -86.81 -55.26 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 33' ' ' LEU . 65.8 mt -74.34 -33.99 63.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.63 30.26 40.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.472 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.724 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.3 m -106.91 -173.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -78.23 148.22 34.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.12 -38.33 52.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -53.7 -39.92 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -65.2 -26.02 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.1 79.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.6 p -110.79 165.08 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -52.39 -37.64 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.79 31.14 6.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.97 109.87 21.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.477 ' OG ' HG22 ' A' ' 65' ' ' THR . 69.0 m -90.87 117.17 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.645 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.5 m-85 -62.69 -13.31 30.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.2 mm -84.33 -53.42 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.79 -60.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -42.9 -42.87 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 16' ' ' LEU . 21.0 mt -100.03 -16.1 18.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.73 34.03 59.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.76 171.59 7.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.092 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.28 178.96 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.629 ' O ' HG23 ' A' ' 41' ' ' VAL . 20.8 t -52.64 -32.45 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.21 -56.11 21.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.433 ' O ' HD23 ' A' ' 43' ' ' LEU . 18.3 t70 -52.99 -47.37 68.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.714 ' O ' HG23 ' A' ' 44' ' ' VAL . 26.4 m -55.92 -49.11 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 37' ' ' SER . 62.0 t -57.35 -52.12 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -52.66 -51.58 59.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.757 HD12 ' CZ ' ' A' ' 47' ' ' PHE . 3.9 mm? -55.67 -49.84 71.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 40' ' ' THR . 72.3 t -53.23 -48.67 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.0 mmt -59.5 -45.2 92.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.5 -51.63 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.757 ' CZ ' HD12 ' A' ' 43' ' ' LEU . 18.2 m-85 -61.81 -40.09 94.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' HG2' HG23 ' A' ' 53' ' ' VAL . 1.9 tt0 -60.69 -41.73 95.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -32.88 60.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.08 -53.87 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -79.71 -24.48 41.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.52 56.41 3.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.5 HG23 ' HG2' ' A' ' 48' ' ' GLU . 35.2 m -120.48 177.15 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -134.11 110.35 9.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.38 155.98 64.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.66 16.06 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -73.18 -38.82 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.34 -26.15 60.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -51.75 -47.2 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.73 -25.74 41.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -78.81 -29.08 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.5 p -83.58 -18.78 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.519 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 71.7 mt -86.76 102.5 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.1 mt -110.42 -58.89 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.477 HG22 ' OG ' ' A' ' 28' ' ' SER . 74.6 p -97.87 167.0 11.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.645 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 88.8 t -51.92 -47.79 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.15 -35.33 41.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.0 -55.96 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.335 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.519 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -58.24 -47.02 84.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.674 ' HA ' HG21 ' A' ' 8' ' ' VAL . 60.1 t -60.47 -54.17 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -55.41 -37.47 67.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.479 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -64.45 -55.52 20.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.7 mt -55.32 -39.56 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.598 ' HB2' HG21 ' A' ' 4' ' ' THR . 42.0 t0 -68.19 -40.01 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -65.49 -47.29 76.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.26 -25.27 60.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -58.93 -30.36 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.607 HG21 ' HB2' ' A' ' 74' ' ' ASP . 52.6 m -66.17 -48.56 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.7 -48.08 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.74 -54.84 24.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -56.78 -42.59 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 12' ' ' VAL . 97.4 t -63.21 -64.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 13' ' ' VAL . 25.5 pttt -53.75 -32.32 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -64.66 -57.59 8.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.75 -32.77 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 8' ' ' VAL . 97.1 t -67.92 -45.7 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 18' ' ' VAL . 91.2 t -69.95 -31.2 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -81.26 -25.16 36.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -87.84 -54.69 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.807 HD12 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -75.15 -30.34 60.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.0 32.82 56.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.454 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.807 HG13 HD12 ' A' ' 16' ' ' LEU . 18.2 m -106.9 -177.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.76 140.11 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.47 -29.88 65.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -55.19 -26.6 40.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -83.8 -26.1 29.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.93 80.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -118.57 167.77 11.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -53.05 -32.23 45.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.36 8.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.41 ' HB3' HG23 ' A' ' 66' ' ' VAL . . . -104.67 109.68 21.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.781 0.324 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.41 ' OG ' HG22 ' A' ' 65' ' ' THR . 1.5 m -91.11 116.4 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.8 m-85 -62.73 -13.19 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.7 mm -84.22 -53.56 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -94.95 -60.73 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -42.87 -42.28 3.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.61 -16.42 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.74 34.72 59.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.4 171.54 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.076 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -108.14 176.09 5.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.711 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.7 p -52.05 -39.94 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.01 -51.88 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -51.15 60.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.683 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -56.5 -47.72 78.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 37' ' ' SER . 40.4 t -54.75 -51.51 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -56.68 -52.68 63.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.665 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 11.2 mt -53.18 -50.78 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 40' ' ' THR . 88.1 t -54.23 -52.27 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 21.8 mtt -54.69 -42.94 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.62 -53.87 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.665 ' CZ ' HD22 ' A' ' 43' ' ' LEU . 19.1 m-85 -55.51 -42.23 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.751 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -66.26 -35.79 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.41 -27.47 60.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -84.39 -42.15 15.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -80.25 -24.46 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.22 48.24 7.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.751 HG23 ' HG3' ' A' ' 48' ' ' GLU . 6.4 m -119.87 163.32 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.092 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -123.96 111.49 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.567 HD11 ' OE2' ' A' ' 48' ' ' GLU . 9.7 pt -126.22 155.97 73.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.728 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 148.11 64.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -52.25 -39.43 60.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 62' ' ' THR . 38.6 m-20 -53.1 -28.96 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.14 -53.61 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.555 ' HA ' HG21 ' A' ' 44' ' ' VAL . . . -54.57 -26.76 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -86.0 -26.04 25.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 58' ' ' ASP . 47.8 p -81.03 -18.85 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.54 HG21 ' HB2' ' A' ' 69' ' ' ALA . 52.6 mt -85.01 109.99 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -110.51 -41.02 4.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.41 HG22 ' OG ' ' A' ' 28' ' ' SER . 82.2 p -115.23 167.24 11.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.615 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 96.5 t -53.11 -38.43 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.02 38.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.49 -55.38 35.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' A' ' 63' ' ' ILE . . . -51.66 -47.77 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 66' ' ' VAL . 82.5 t -62.8 -57.04 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -34.65 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -60.44 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.3 mt -56.76 -26.98 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.607 ' HB2' HG21 ' A' ' 4' ' ' THR . 59.7 t0 -76.64 -60.19 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -57.38 -29.92 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.7 -25.31 41.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 p -58.62 -32.61 69.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.882 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.88 0.371 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.559 HG21 ' HB2' ' A' ' 74' ' ' ASP . 3.5 m -67.74 -53.43 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.73 -53.1 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -51.84 -49.71 62.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -56.07 -46.75 78.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 12' ' ' VAL . 97.2 t -61.01 -64.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 13' ' ' VAL . 10.2 pttp -52.65 -29.58 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -66.98 -57.76 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.32 -29.26 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 8' ' ' VAL . 98.4 t -71.02 -47.46 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 18' ' ' VAL . 95.3 t -70.39 -29.25 38.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -81.16 -25.37 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -54.75 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD21 HD21 ' A' ' 43' ' ' LEU . 4.4 mm? -74.44 -25.56 59.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.53 34.84 79.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.1 m -106.88 -173.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.75 142.09 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.15 -31.71 58.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -55.2 -26.73 41.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -82.97 -26.04 31.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -71.81 80.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.8 p -118.85 166.75 12.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.07 -29.16 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.55 29.46 11.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.96 109.54 21.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -91.04 116.61 28.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.65 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.6 m-85 -62.83 -13.13 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.2 mm -84.36 -53.6 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.79 -60.79 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -42.92 -42.61 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.25 -16.31 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.82 34.14 59.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.62 169.79 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.05 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -105.49 -179.99 4.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.679 ' O ' HG23 ' A' ' 41' ' ' VAL . 5.8 m -55.96 -33.37 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.19 -54.29 48.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.482 ' HB3' ' HB1' ' A' ' 35' ' ' ALA . 6.6 t70 -51.96 -53.36 42.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -52.88 -53.32 50.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 37' ' ' SER . 92.2 t -52.63 -44.81 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -58.99 -55.11 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.678 HD21 HD21 ' A' ' 16' ' ' LEU . 12.5 mt -54.21 -53.85 47.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.536 ' CG2' HG21 ' A' ' 63' ' ' ILE . 97.8 t -51.73 -47.89 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.4 mtp -58.66 -43.31 89.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.21 -52.49 65.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -57.6 -44.23 85.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.756 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -61.36 -40.25 93.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -71.75 -30.08 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.09 -36.88 47.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -83.95 -24.43 30.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.21 24.79 33.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.756 HG23 ' HG3' ' A' ' 48' ' ' GLU . 27.7 m -106.96 145.99 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 111.102 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -116.76 121.31 41.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 72' ' ' PHE . 11.1 pt -126.21 155.96 72.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 158.78 55.81 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.06 -25.15 61.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -69.02 -46.54 67.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.78 -34.86 71.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.51 -24.9 49.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.94 -24.45 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.0 p -77.65 -18.72 56.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.536 HG21 ' CG2' ' A' ' 44' ' ' VAL . 32.6 mm -65.91 91.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.3 mt -110.49 -58.93 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.6 p -107.07 165.67 11.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.65 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 90.6 t -51.67 -43.26 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.09 -43.74 56.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.9 -55.94 24.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.28 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.505 ' HA ' HG21 ' A' ' 8' ' ' VAL . 96.1 t -54.6 -55.51 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -52.74 -35.57 56.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.536 ' CE1' HG21 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -66.17 -59.53 3.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.2 mt -52.31 -37.2 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.559 ' HB2' HG21 ' A' ' 4' ' ' THR . 16.8 t0 -71.37 -40.03 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -25.77 62.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.31 -25.03 20.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -58.6 -27.41 64.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.737 HG21 ' HB2' ' A' ' 74' ' ' ASP . 22.5 m -71.3 -55.3 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.68 -55.03 21.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -51.83 -48.13 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -56.2 -45.84 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 12' ' ' VAL . 92.9 t -61.2 -64.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.608 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.6 ptpp? -53.31 -29.59 34.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -67.08 -57.38 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.2 mt -61.12 -30.24 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 8' ' ' VAL . 99.7 t -70.47 -47.78 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 18' ' ' VAL . 87.7 t -69.67 -29.23 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -81.32 -24.94 36.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.64 -54.84 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.502 HD23 HD13 ' A' ' 33' ' ' LEU . 8.7 mp -74.34 -27.81 60.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.11 32.91 65.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.719 ' O ' HG13 ' A' ' 13' ' ' VAL . 29.1 m -106.79 -174.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.3 143.41 42.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.55 -32.45 53.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.98 -33.69 62.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -70.55 -24.99 62.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.1 t -73.96 75.03 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -105.51 163.67 12.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -52.25 -35.01 48.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.93 32.34 7.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.14 110.34 22.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.347 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.2 p -89.96 116.95 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.671 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.0 m-85 -62.66 -13.38 31.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -84.53 -53.33 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.81 -60.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.93 -42.83 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.502 HD13 HD23 ' A' ' 16' ' ' LEU . 21.2 mt -100.05 -16.06 18.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.43 34.62 60.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.509 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.9 170.62 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.6 177.32 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 41' ' ' VAL . 13.0 t -52.57 -29.61 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.6 tp -55.29 -58.82 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -52.81 -45.42 67.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 44' ' ' VAL . 27.7 m -57.61 -51.49 69.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 37' ' ' SER . 82.4 t -55.47 -53.18 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.44 -51.01 61.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -56.73 -50.6 71.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 40' ' ' THR . 87.8 t -51.58 -50.99 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.2 mmm -58.26 -46.58 85.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.58 24.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -61.37 -35.22 76.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' HG2' HG23 ' A' ' 53' ' ' VAL . 5.4 tt0 -59.45 -50.04 75.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -74.57 -26.69 60.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -65.94 -48.12 72.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -87.8 -24.45 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.84 55.03 2.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.557 HG23 ' HG2' ' A' ' 48' ' ' GLU . 26.9 m -119.72 170.63 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 111.139 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -134.41 106.94 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.549 HG21 ' CE1' ' A' ' 72' ' ' PHE . 3.2 pt -126.21 155.8 73.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.674 0.749 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.7 48.75 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -73.42 -24.64 60.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -70.25 -49.57 48.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -56.29 -24.97 46.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.7 65.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -73.19 -24.97 60.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -77.6 -18.84 56.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 62.1 mt -78.55 93.21 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.54 -53.99 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -89.96 156.76 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.198 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.671 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 88.7 t -51.67 -47.61 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.25 -32.96 37.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.73 -55.97 9.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -56.82 -48.78 77.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.558 HG22 HG21 ' A' ' 8' ' ' VAL . 96.3 t -60.11 -54.08 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -55.27 -34.75 64.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.549 ' CE1' HG21 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -67.09 -57.04 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.4 mt -54.01 -39.66 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.737 ' HB2' HG21 ' A' ' 4' ' ' THR . 32.7 t0 -69.44 -41.13 76.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -63.85 -48.25 77.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.93 -25.81 61.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -58.71 -35.74 73.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.132 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.899 0.381 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.64 HG21 ' HB2' ' A' ' 74' ' ' ASP . 32.7 m -68.12 -47.45 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.66 35.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.77 -49.73 62.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -45.16 79.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.96 HG21 HG22 ' A' ' 70' ' ' VAL . 96.0 t -61.12 -63.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.675 ' CB ' HG11 ' A' ' 23' ' ' VAL . 15.4 ptpt -52.89 -28.81 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -68.73 -55.29 11.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 47' ' ' PHE . 80.3 mt -64.12 -26.06 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 8' ' ' VAL . 98.1 t -75.37 -48.0 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 18' ' ' VAL . 90.8 t -70.54 -29.07 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.24 -24.97 36.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -90.12 -54.66 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.32 -27.24 60.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.35 33.24 68.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.72 ' O ' HG13 ' A' ' 13' ' ' VAL . 18.8 m -106.89 -173.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 111.102 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -75.35 141.48 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.43 -32.2 54.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -55.12 -32.97 62.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' O ' HG23 ' A' ' 24' ' ' THR . 48.3 mttt -68.58 -24.88 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.675 HG11 ' CB ' ' A' ' 9' ' ' LYS . 60.6 t -61.74 94.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 22' ' ' LYS . 24.7 p -124.61 151.91 44.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -52.11 -33.9 41.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.58 32.35 7.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.52 111.49 23.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -88.66 116.47 26.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.681 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 26.2 m-85 -62.41 -13.56 31.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.646 HD11 ' OG1' ' A' ' 40' ' ' THR . 47.2 mm -84.56 -53.37 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.8 -60.98 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -42.7 -42.65 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.2 mt -99.99 -16.74 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.14 37.01 60.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -99.22 172.2 7.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -107.22 176.0 5.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -52.03 -33.21 37.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.1 mt -51.98 -57.3 9.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -43.07 71.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.646 ' OG1' HD11 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -54.97 -60.55 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.87 -29.67 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -68.14 -55.39 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.572 HD21 HG22 ' A' ' 12' ' ' VAL . 2.8 tp -59.61 -43.22 93.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 40' ' ' THR . 65.6 t -61.58 -50.77 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 29.9 mmm -55.91 -50.24 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.14 82.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 11' ' ' ILE . 9.0 m-85 -57.08 -45.99 82.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.769 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -64.75 -35.83 82.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -75.71 -24.55 56.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -84.78 -46.81 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.43 ' CD1' HG21 ' A' ' 73' ' ' ILE . 15.7 m-85 -79.69 -24.44 41.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.96 55.65 3.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.769 HG23 ' HG3' ' A' ' 48' ' ' GLU . 18.6 m -130.2 146.93 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -108.1 119.14 38.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.2 pt -126.23 155.99 73.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 172.11 13.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -68.6 -41.5 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -56.04 -25.6 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.69 -54.72 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.82 -25.22 40.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.82 -26.07 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.413 ' O ' HD12 ' A' ' 64' ' ' LEU . 81.2 p -86.28 -18.81 31.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 71.0 mt -88.69 99.55 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -110.55 -54.06 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.3 p -97.85 164.72 12.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.681 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 76.3 t -52.79 -47.86 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.08 -31.81 34.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -55.96 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.432 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -56.72 -44.93 82.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.96 HG22 HG21 ' A' ' 8' ' ' VAL . 93.0 t -64.15 -50.38 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -59.76 -30.48 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -54.92 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.43 HG21 ' CD1' ' A' ' 51' ' ' PHE . 53.9 mt -57.81 -36.97 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.64 ' HB2' HG21 ' A' ' 4' ' ' THR . 30.5 t0 -71.58 -48.81 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.29 -25.78 67.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.67 -24.73 23.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 p -58.62 -29.32 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.2 t0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.3 m -66.98 -47.41 71.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.21 -49.32 64.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -52.07 -45.54 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -62.71 -55.96 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 12' ' ' VAL . 80.3 t -51.81 -55.55 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 13' ' ' VAL . 39.2 mttt -53.74 -48.85 69.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -51.89 -53.02 45.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.44 -35.99 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 8' ' ' VAL . 95.6 t -67.93 -32.09 54.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.711 HG13 ' O ' ' A' ' 18' ' ' VAL . 66.0 t -80.9 -32.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.22 -24.94 37.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -90.98 -49.02 6.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.869 HD12 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -79.11 -32.14 44.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.2 34.55 46.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.869 HG13 HD12 ' A' ' 16' ' ' LEU . 15.6 m -106.87 -178.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.159 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -85.92 140.29 30.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.42 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -27.96 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -88.86 -25.47 22.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.76 85.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.1 p -125.5 157.73 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -52.19 -29.63 23.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.69 30.14 7.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.14 112.39 24.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -88.25 117.22 27.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.684 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 23.5 m-85 -62.64 -13.41 31.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.3 mm -84.48 -53.53 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.84 -60.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -42.97 -42.53 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.29 -16.17 17.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.64 34.16 60.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.491 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -101.68 172.86 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.087 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -109.67 178.24 4.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 41' ' ' VAL . 58.4 p -52.09 -34.91 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.77 -51.66 59.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -56.2 -47.35 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.2 m -56.51 -47.15 79.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 37' ' ' SER . 48.6 t -59.27 -53.64 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -52.01 -49.15 63.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.744 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 12.1 mt -57.09 -52.18 66.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 40' ' ' THR . 90.5 t -51.92 -47.87 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.9 mtp -59.94 -45.74 91.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.6 -55.27 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.744 ' CZ ' HD22 ' A' ' 43' ' ' LEU . 15.3 m-85 -58.61 -40.13 82.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.79 -38.64 88.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -77.44 -28.44 52.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.04 -53.02 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -79.89 -24.51 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.5 59.44 3.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -119.69 174.97 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.38 109.02 13.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 56' ' ' PRO . 2.7 pp -126.16 153.1 74.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.403 ' O ' HD12 ' A' ' 55' ' ' ILE . 53.8 Cg_endo -69.74 160.75 48.56 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.374 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -72.48 -26.25 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.45 -26.19 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.539 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -51.77 -35.64 44.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.57 -28.16 44.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -89.0 -26.12 21.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.4 p -77.55 -18.8 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 69' ' ' ALA . 78.2 mt -92.51 108.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.87 -58.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.0 p -100.09 164.53 11.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.684 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 58.1 t -51.61 -41.33 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.31 52.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -67.93 -55.86 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.501 ' HB2' HG21 ' A' ' 63' ' ' ILE . . . -52.87 -51.74 59.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.43 -52.99 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -56.44 -30.0 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -72.12 -52.09 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.33 -36.64 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -71.78 -51.07 24.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -60.16 -31.39 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.75 -26.52 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 t -58.93 -45.71 89.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.567 HG21 ' HB2' ' A' ' 74' ' ' ASP . 8.7 m -73.99 -43.26 58.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.57 -52.9 60.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.9 -44.43 74.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -59.0 -56.51 21.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.698 ' O ' HG23 ' A' ' 12' ' ' VAL . 92.1 t -51.73 -56.6 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.2 mtpm? -51.83 -44.56 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.53 -54.61 43.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.3 -30.56 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 8' ' ' VAL . 96.9 t -75.04 -34.22 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.748 HG13 ' O ' ' A' ' 18' ' ' VAL . 91.0 t -75.46 -35.07 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -81.18 -26.14 36.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -88.77 -54.31 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.892 HD12 HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -74.39 -34.61 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.9 25.62 52.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.892 HG13 HD12 ' A' ' 16' ' ' LEU . 13.0 m -106.96 179.39 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -75.51 145.74 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -76.5 -36.45 57.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.78 -38.76 64.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -68.13 -25.89 65.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.86 86.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.8 p -113.51 164.73 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -53.6 -32.91 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.55 32.31 6.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.439 ' HB3' HG23 ' A' ' 66' ' ' VAL . . . -104.77 109.72 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.553 ' OG ' HG22 ' A' ' 65' ' ' THR . 71.0 m -90.93 116.3 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.648 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 26.2 m-85 -62.53 -13.33 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -84.38 -53.52 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.75 -60.82 1.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.66 -42.48 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.3 mt -100.28 -16.76 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.56 35.92 59.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -98.56 -173.98 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -123.0 175.97 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.6 t -51.9 -36.44 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 mt -52.75 -50.32 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -51.36 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 44' ' ' VAL . 6.6 m -53.15 -50.23 64.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 37' ' ' SER . 94.6 t -56.07 -51.79 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.18 -52.42 52.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -54.53 -51.53 64.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.718 HG12 ' OE2' ' A' ' 48' ' ' GLU . 97.1 t -51.71 -50.12 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 mtp -56.93 -49.08 76.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.68 -48.71 69.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -61.24 -41.69 97.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.718 ' OE2' HG12 ' A' ' 44' ' ' VAL . 35.0 mt-10 -61.25 -40.14 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -77.77 -26.14 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.78 -54.68 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -79.79 -24.45 41.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.41 20.93 46.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 m -93.13 142.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -112.81 115.75 28.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.411 HD11 ' CG1' ' A' ' 44' ' ' VAL . 10.5 pt -126.2 156.0 72.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 169.09 19.64 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -68.11 -33.86 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -55.15 -26.58 39.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -55.28 -30.36 59.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.47 -25.57 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.58 5.71 38.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 p -116.8 -18.79 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 78.5 mt -93.56 103.79 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 mt -110.49 -42.83 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.553 HG22 ' OG ' ' A' ' 28' ' ' SER . 65.1 p -116.06 168.49 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.648 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 89.4 t -51.64 -47.51 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.14 -40.72 52.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.96 -55.93 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -56.78 -53.24 60.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.572 HG22 ' CB ' ' A' ' 8' ' ' VAL . 85.1 t -56.54 -53.15 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -56.19 -34.49 66.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -66.47 -54.16 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.9 mt -58.27 -37.16 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.567 ' HB2' HG21 ' A' ' 4' ' ' THR . 9.4 t70 -71.62 -39.74 70.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -69.26 -37.55 77.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.48 -25.19 38.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -63.27 -43.04 99.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.935 0.398 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.3 m -71.82 -44.9 63.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.74 -50.19 61.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.07 -47.85 64.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -59.31 -56.1 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 12' ' ' VAL . 88.6 t -51.88 -54.34 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.1 mtpm? -51.86 -51.84 53.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -52.27 -58.66 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.4 mt -51.88 -39.29 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 8' ' ' VAL . 95.8 t -68.19 -37.55 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 9' ' ' LYS . 88.6 t -66.97 -39.46 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -81.23 -26.19 36.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.14 -59.51 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.401 HD23 HG13 ' A' ' 12' ' ' VAL . 4.5 mm? -74.3 -34.62 63.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.63 29.3 29.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.6 m -107.03 177.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.106 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.6 151.66 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.64 -33.94 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -55.31 -29.77 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -80.48 -25.72 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.1 t -66.93 88.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 p -119.95 153.53 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.11 -29.87 23.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.51 31.34 7.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.09 111.8 24.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.808 0.337 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 65' ' ' THR . 86.0 p -87.3 115.88 25.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.699 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 30.9 m-85 -62.26 -13.77 31.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mm -84.79 -53.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.194 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.58 -61.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.59 -43.02 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -99.55 -17.08 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.64 31.6 58.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -99.18 174.21 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -112.86 -178.75 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 41' ' ' VAL . 46.3 t -51.36 -32.45 25.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.13 -51.96 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -55.08 -50.25 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.726 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 m -53.75 -51.09 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 37' ' ' SER . 95.8 t -55.81 -49.76 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.55 -52.28 60.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.8 -50.51 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 40' ' ' THR . 44.6 t -53.0 -49.54 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.8 mmt -56.69 -50.86 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.11 -48.5 67.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 35.1 m-85 -63.67 -34.66 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.714 ' OE2' HG23 ' A' ' 53' ' ' VAL . 11.5 mm-40 -65.42 -42.22 92.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -78.44 -25.85 46.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -78.31 -55.75 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -79.72 -24.54 41.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.33 40.88 18.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.714 HG23 ' OE2' ' A' ' 48' ' ' GLU . 15.6 m -110.33 159.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -118.48 120.19 36.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 56' ' ' PRO . 2.7 pp -126.31 153.07 74.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.691 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 54.5 Cg_endo -69.74 161.42 46.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 0.0 112.379 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.6 -27.5 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.05 -26.23 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.753 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -55.36 -27.68 48.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.97 -24.48 53.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.66 -25.98 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.1 p -77.58 -18.78 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.6 mt -84.12 111.92 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 mt -110.5 -59.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 28' ' ' SER . 36.9 p -119.06 178.84 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.699 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 61.9 t -51.74 -42.68 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.29 -38.33 49.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.7 -56.04 10.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.3 -51.6 64.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.408 ' HA ' HG21 ' A' ' 8' ' ' VAL . 93.7 t -58.68 -55.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -54.44 -31.7 55.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.753 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -69.51 -57.38 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.429 HD11 ' CG ' ' A' ' 47' ' ' PHE . 51.6 mt -55.32 -36.48 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.56 -42.43 64.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -63.62 -39.3 94.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.53 -27.54 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 t -58.8 -30.26 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.632 ' O ' HG23 ' A' ' 8' ' ' VAL . 19.5 m -79.53 -38.73 33.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.86 -54.57 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -52.05 -53.91 36.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.4 ' NH1' HD11 ' A' ' 11' ' ' ILE . 1.7 tpm_? -53.29 -52.04 60.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 12' ' ' VAL . 94.6 t -51.88 -63.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.65 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.7 mttm -51.86 -33.16 35.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -62.23 -58.9 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.663 HD12 ' CE1' ' A' ' 47' ' ' PHE . 77.4 mt -60.79 -30.43 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 8' ' ' VAL . 95.5 t -69.54 -41.64 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 18' ' ' VAL . 97.0 t -74.82 -31.04 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -81.3 -24.94 36.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -86.77 -56.78 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.3 mm? -74.34 -26.84 60.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.81 34.98 62.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.702 ' O ' HG13 ' A' ' 13' ' ' VAL . 18.5 m -106.86 -173.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -84.45 146.52 27.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.41 -27.19 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.5 -26.76 67.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -82.82 -25.74 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 t -68.48 88.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -114.94 159.41 20.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -51.83 -41.95 62.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.23 32.36 6.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.413 ' HB3' HG23 ' A' ' 66' ' ' VAL . . . -97.77 110.17 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -86.35 116.47 24.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.664 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 36.3 m-85 -62.18 -13.76 30.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.654 HD11 ' OG1' ' A' ' 40' ' ' THR . 46.8 mm -84.83 -53.32 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -94.46 -61.34 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.56 -41.88 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' HA ' ' A' ' 29' ' ' PHE . 21.4 mt -100.13 -21.16 15.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.71 21.57 61.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -88.04 169.92 11.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.15 -176.48 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.8 m -51.76 -30.51 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.0 mt -52.06 -49.84 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -64.09 -36.44 84.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.655 ' O ' HG23 ' A' ' 44' ' ' VAL . 7.1 m -60.48 -60.86 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.3 t -63.12 -36.25 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.3 -48.81 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tp -62.69 -46.63 87.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 40' ' ' THR . 91.4 t -58.5 -45.92 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.7 mtp -61.48 -48.15 82.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.38 -54.1 47.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.663 ' CE1' HD12 ' A' ' 11' ' ' ILE . 18.6 m-85 -57.1 -44.3 83.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.05 -39.86 83.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.14 -26.65 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.76 -51.61 12.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.77 -24.46 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.95 53.38 5.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.6 m -117.51 179.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -134.41 113.04 11.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.414 HD11 ' CG1' ' A' ' 44' ' ' VAL . 11.2 pt -126.24 155.96 73.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.729 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 171.69 14.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -73.31 -33.24 65.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.557 ' O ' HG23 ' A' ' 62' ' ' THR . 75.9 m-20 -59.28 -25.15 63.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.35 60.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.64 -26.47 33.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -86.18 -26.13 25.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 58' ' ' ASP . 20.5 p -87.5 -18.94 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.506 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 68.5 mt -92.32 98.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.74 -55.47 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 p -93.54 171.34 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.664 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 85.7 t -60.61 -48.5 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.33 -31.72 35.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -69.15 -56.08 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.506 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -58.07 -39.44 78.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.664 HG22 HG11 ' A' ' 8' ' ' VAL . 97.0 t -65.57 -54.73 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -57.6 -33.5 68.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -58.29 4.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.9 mt -55.56 -36.71 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB2' HG21 ' A' ' 4' ' ' THR . 24.8 t0 -70.85 -42.15 70.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -62.37 -44.34 96.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.89 -25.22 48.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -58.67 -27.56 64.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.89 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.5 m -65.91 -48.47 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.408 ' HA ' HG13 ' A' ' 70' ' ' VAL . . . -51.77 -53.36 40.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.95 -42.68 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -61.83 -50.27 72.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 12' ' ' VAL . 63.8 t -57.42 -60.07 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.675 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.5 mtmt -51.88 -42.35 62.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -57.05 -58.71 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.3 mt -56.41 -33.76 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 8' ' ' VAL . 97.8 t -69.75 -42.3 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 18' ' ' VAL . 91.9 t -67.92 -35.26 71.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -81.18 -25.87 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -83.42 -57.66 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.41 -30.93 62.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.45 33.79 38.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.712 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.7 m -106.93 -178.42 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -83.29 145.3 29.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.07 -32.25 63.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -54.73 -27.11 38.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -86.66 -26.51 24.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -64.61 92.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.7 p -124.1 154.23 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.89 -29.87 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.45 31.29 6.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.438 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.05 112.7 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.473 ' OG ' HG22 ' A' ' 65' ' ' THR . 58.9 m -87.78 116.91 26.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.682 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 25.0 m-85 -62.59 -13.41 31.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.643 HD11 ' OG1' ' A' ' 40' ' ' THR . 48.0 mm -84.4 -53.65 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.97 -60.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -42.79 -42.05 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.69 -16.71 17.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.45 36.14 59.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.39 172.89 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -108.19 176.76 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.9 m -52.07 -32.87 36.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.7 tp -52.01 -55.66 19.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -58.61 -36.53 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.643 ' OG1' HD11 ' A' ' 30' ' ' ILE . 1.3 m -59.06 -60.54 3.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -61.45 -32.42 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -66.5 -55.51 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.501 HD22 ' HZ ' ' A' ' 47' ' ' PHE . 11.7 mt -58.98 -52.71 64.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 40' ' ' THR . 57.5 t -54.43 -53.18 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.98 -40.15 72.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.23 -54.47 45.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.501 ' HZ ' HD22 ' A' ' 43' ' ' LEU . 13.1 m-85 -56.54 -44.29 80.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.728 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -59.42 -45.24 92.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -70.07 -27.0 64.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.36 -38.47 41.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -83.55 -24.44 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.52 31.98 8.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.728 HG23 ' HG3' ' A' ' 48' ' ' GLU . 26.8 m -118.62 159.3 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -125.33 131.07 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 56' ' ' PRO . 2.2 pp -126.2 153.22 74.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.646 0.736 . . . . 0.0 111.196 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.528 ' O ' HD12 ' A' ' 55' ' ' ILE . 54.2 Cg_endo -69.71 164.54 34.12 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.59 -33.97 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -33.61 74.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.619 ' HB1' ' CZ ' ' A' ' 72' ' ' PHE . . . -58.31 -27.09 63.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.9 -25.09 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -81.78 -26.18 34.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.2 p -77.68 -18.78 56.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.6 mt -90.72 100.27 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mt -110.5 -58.79 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.473 HG22 ' OG ' ' A' ' 28' ' ' SER . 43.4 p -94.5 164.0 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.682 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 57.5 t -51.62 -43.95 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.57 -36.01 46.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -69.1 -55.94 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.79 -47.74 73.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 66' ' ' VAL . 95.6 t -61.97 -54.74 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -54.1 -32.87 56.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.619 ' CZ ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -70.09 -57.56 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.576 HD13 HG22 ' A' ' 8' ' ' VAL . 17.5 mt -55.47 -34.65 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -77.51 -36.2 52.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -63.35 -44.98 93.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.55 5.85 37.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -63.88 -32.53 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.872 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.758 0.313 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.579 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 71.0 m -82.65 145.93 29.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -93.27 -46.88 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.598 HG21 ' HB2' ' A' ' 74' ' ' ASP . 5.8 m -78.62 -45.17 22.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.579 ' HB3' ' HB2' ' A' ' 2' ' ' SER . . . -51.68 -57.46 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -52.94 -41.12 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -63.62 -60.32 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 12' ' ' VAL . 78.7 t -51.67 -55.67 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 13' ' ' VAL . 28.4 mttm -53.05 -48.37 67.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -54.63 -53.33 56.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.5 mt -58.17 -37.55 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 8' ' ' VAL . 88.2 t -67.11 -38.19 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 18' ' ' VAL . 84.2 t -72.65 -34.2 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -81.22 -26.13 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -86.81 -55.26 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 33' ' ' LEU . 65.8 mt -74.34 -33.99 63.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.63 30.26 40.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.472 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.724 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.3 m -106.91 -173.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -78.23 148.22 34.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.12 -38.33 52.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -53.7 -39.92 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -65.2 -26.02 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.1 79.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.6 p -110.79 165.08 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -52.39 -37.64 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.79 31.14 6.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.97 109.87 21.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.477 ' OG ' HG22 ' A' ' 65' ' ' THR . 69.0 m -90.87 117.17 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.645 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.5 m-85 -62.69 -13.31 30.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.2 mm -84.33 -53.42 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.79 -60.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -42.9 -42.87 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 16' ' ' LEU . 21.0 mt -100.03 -16.1 18.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.73 34.03 59.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.76 171.59 7.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.092 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.28 178.96 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.629 ' O ' HG23 ' A' ' 41' ' ' VAL . 20.8 t -52.64 -32.45 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.21 -56.11 21.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' O ' HD23 ' A' ' 43' ' ' LEU . 18.3 t70 -52.99 -47.37 68.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.714 ' O ' HG23 ' A' ' 44' ' ' VAL . 26.4 m -55.92 -49.11 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 37' ' ' SER . 62.0 t -57.35 -52.12 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -52.66 -51.58 59.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.757 HD12 ' CZ ' ' A' ' 47' ' ' PHE . 3.9 mm? -55.67 -49.84 71.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 40' ' ' THR . 72.3 t -53.23 -48.67 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.0 mmt -59.5 -45.2 92.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.5 -51.63 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.757 ' CZ ' HD12 ' A' ' 43' ' ' LEU . 18.2 m-85 -61.81 -40.09 94.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' HG2' HG23 ' A' ' 53' ' ' VAL . 1.9 tt0 -60.69 -41.73 95.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -32.88 60.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.08 -53.87 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -79.71 -24.48 41.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.52 56.41 3.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.5 HG23 ' HG2' ' A' ' 48' ' ' GLU . 35.2 m -120.48 177.15 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -134.11 110.35 9.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.38 155.98 64.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.66 16.06 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -73.18 -38.82 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.34 -26.15 60.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -51.75 -47.2 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.73 -25.74 41.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -78.81 -29.08 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.5 p -83.58 -18.78 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.519 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 71.7 mt -86.76 102.5 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.1 mt -110.42 -58.89 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.477 HG22 ' OG ' ' A' ' 28' ' ' SER . 74.6 p -97.87 167.0 11.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.645 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 88.8 t -51.92 -47.79 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.15 -35.33 41.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.0 -55.96 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.335 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.519 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -58.24 -47.02 84.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.674 ' HA ' HG21 ' A' ' 8' ' ' VAL . 60.1 t -60.47 -54.17 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -55.41 -37.47 67.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.479 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -64.45 -55.52 20.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.7 mt -55.32 -39.56 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.598 ' HB2' HG21 ' A' ' 4' ' ' THR . 42.0 t0 -68.19 -40.01 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -65.49 -47.29 76.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.26 -25.27 60.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -58.93 -30.36 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 tpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.785 0.326 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -119.52 159.12 24.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -53.61 -39.95 65.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.607 HG21 ' HB2' ' A' ' 74' ' ' ASP . 52.6 m -66.17 -48.56 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.7 -48.08 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.74 -54.84 24.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -56.78 -42.59 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 12' ' ' VAL . 97.4 t -63.21 -64.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 13' ' ' VAL . 25.5 pttt -53.75 -32.32 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -64.66 -57.59 8.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.75 -32.77 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 8' ' ' VAL . 97.1 t -67.92 -45.7 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 18' ' ' VAL . 91.2 t -69.95 -31.2 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -81.26 -25.16 36.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -87.84 -54.69 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.807 HD12 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -75.15 -30.34 60.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.0 32.82 56.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.454 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.807 HG13 HD12 ' A' ' 16' ' ' LEU . 18.2 m -106.9 -177.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.76 140.11 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.47 -29.88 65.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -55.19 -26.6 40.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -83.8 -26.1 29.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.93 80.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -118.57 167.77 11.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -53.05 -32.23 45.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.36 8.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.41 ' HB3' HG23 ' A' ' 66' ' ' VAL . . . -104.67 109.68 21.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.781 0.324 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.41 ' OG ' HG22 ' A' ' 65' ' ' THR . 1.5 m -91.11 116.4 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.8 m-85 -62.73 -13.19 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.7 mm -84.22 -53.56 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -94.95 -60.73 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -42.87 -42.28 3.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.61 -16.42 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.74 34.72 59.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.4 171.54 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.076 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -108.14 176.09 5.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.711 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.7 p -52.05 -39.94 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.01 -51.88 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -51.15 60.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.683 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -56.5 -47.72 78.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 37' ' ' SER . 40.4 t -54.75 -51.51 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -56.68 -52.68 63.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.665 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 11.2 mt -53.18 -50.78 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 40' ' ' THR . 88.1 t -54.23 -52.27 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 21.8 mtt -54.69 -42.94 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.62 -53.87 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.665 ' CZ ' HD22 ' A' ' 43' ' ' LEU . 19.1 m-85 -55.51 -42.23 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.751 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -66.26 -35.79 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.41 -27.47 60.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -84.39 -42.15 15.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -80.25 -24.46 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.22 48.24 7.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.751 HG23 ' HG3' ' A' ' 48' ' ' GLU . 6.4 m -119.87 163.32 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.092 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -123.96 111.49 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.567 HD11 ' OE2' ' A' ' 48' ' ' GLU . 9.7 pt -126.22 155.97 73.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.728 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 148.11 64.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -52.25 -39.43 60.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 62' ' ' THR . 38.6 m-20 -53.1 -28.96 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.14 -53.61 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.555 ' HA ' HG21 ' A' ' 44' ' ' VAL . . . -54.57 -26.76 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -86.0 -26.04 25.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 58' ' ' ASP . 47.8 p -81.03 -18.85 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.54 HG21 ' HB2' ' A' ' 69' ' ' ALA . 52.6 mt -85.01 109.99 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -110.51 -41.02 4.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.41 HG22 ' OG ' ' A' ' 28' ' ' SER . 82.2 p -115.23 167.24 11.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.615 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 96.5 t -53.11 -38.43 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.02 38.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.49 -55.38 35.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' A' ' 63' ' ' ILE . . . -51.66 -47.77 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 66' ' ' VAL . 82.5 t -62.8 -57.04 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -34.65 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -60.44 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.3 mt -56.76 -26.98 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.607 ' HB2' HG21 ' A' ' 4' ' ' THR . 59.7 t0 -76.64 -60.19 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -57.38 -29.92 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.7 -25.31 41.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 p -58.62 -32.61 69.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.882 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m -159.73 132.83 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -98.21 -44.64 6.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.559 HG21 ' HB2' ' A' ' 74' ' ' ASP . 3.5 m -67.74 -53.43 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.73 -53.1 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -51.84 -49.71 62.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -56.07 -46.75 78.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 12' ' ' VAL . 97.2 t -61.01 -64.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 13' ' ' VAL . 10.2 pttp -52.65 -29.58 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -66.98 -57.76 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.32 -29.26 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 8' ' ' VAL . 98.4 t -71.02 -47.46 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 18' ' ' VAL . 95.3 t -70.39 -29.25 38.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -81.16 -25.37 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -54.75 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD21 HD21 ' A' ' 43' ' ' LEU . 4.4 mm? -74.44 -25.56 59.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.53 34.84 79.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.1 m -106.88 -173.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.75 142.09 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.15 -31.71 58.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -55.2 -26.73 41.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -82.97 -26.04 31.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -71.81 80.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.8 p -118.85 166.75 12.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.07 -29.16 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.55 29.46 11.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.96 109.54 21.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -91.04 116.61 28.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.65 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.6 m-85 -62.83 -13.13 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.2 mm -84.36 -53.6 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.79 -60.79 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -42.92 -42.61 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.25 -16.31 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.82 34.14 59.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.62 169.79 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.05 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -105.49 -179.99 4.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.679 ' O ' HG23 ' A' ' 41' ' ' VAL . 5.8 m -55.96 -33.37 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.19 -54.29 48.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.482 ' HB3' ' HB1' ' A' ' 35' ' ' ALA . 6.6 t70 -51.96 -53.36 42.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -52.88 -53.32 50.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 37' ' ' SER . 92.2 t -52.63 -44.81 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -58.99 -55.11 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.678 HD21 HD21 ' A' ' 16' ' ' LEU . 12.5 mt -54.21 -53.85 47.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.536 ' CG2' HG21 ' A' ' 63' ' ' ILE . 97.8 t -51.73 -47.89 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.4 mtp -58.66 -43.31 89.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.21 -52.49 65.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -57.6 -44.23 85.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.756 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -61.36 -40.25 93.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -71.75 -30.08 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.09 -36.88 47.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -83.95 -24.43 30.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.21 24.79 33.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.756 HG23 ' HG3' ' A' ' 48' ' ' GLU . 27.7 m -106.96 145.99 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 111.102 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -116.76 121.31 41.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 72' ' ' PHE . 11.1 pt -126.21 155.96 72.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 158.78 55.81 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.06 -25.15 61.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -69.02 -46.54 67.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.78 -34.86 71.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.51 -24.9 49.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.94 -24.45 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.0 p -77.65 -18.72 56.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.536 HG21 ' CG2' ' A' ' 44' ' ' VAL . 32.6 mm -65.91 91.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.3 mt -110.49 -58.93 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.6 p -107.07 165.67 11.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.65 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 90.6 t -51.67 -43.26 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.09 -43.74 56.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.9 -55.94 24.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.28 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.505 ' HA ' HG21 ' A' ' 8' ' ' VAL . 96.1 t -54.6 -55.51 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -52.74 -35.57 56.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.536 ' CE1' HG21 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -66.17 -59.53 3.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.2 mt -52.31 -37.2 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.559 ' HB2' HG21 ' A' ' 4' ' ' THR . 16.8 t0 -71.37 -40.03 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -25.77 62.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.31 -25.03 20.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -58.6 -27.41 64.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.782 0.325 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -99.56 142.23 31.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -104.53 -35.29 7.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.737 HG21 ' HB2' ' A' ' 74' ' ' ASP . 22.5 m -71.3 -55.3 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.68 -55.03 21.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -51.83 -48.13 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -56.2 -45.84 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 12' ' ' VAL . 92.9 t -61.2 -64.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.608 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.6 ptpp? -53.31 -29.59 34.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -67.08 -57.38 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.2 mt -61.12 -30.24 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 8' ' ' VAL . 99.7 t -70.47 -47.78 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 18' ' ' VAL . 87.7 t -69.67 -29.23 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -81.32 -24.94 36.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.64 -54.84 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.502 HD23 HD13 ' A' ' 33' ' ' LEU . 8.7 mp -74.34 -27.81 60.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.11 32.91 65.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.719 ' O ' HG13 ' A' ' 13' ' ' VAL . 29.1 m -106.79 -174.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.3 143.41 42.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.55 -32.45 53.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.98 -33.69 62.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -70.55 -24.99 62.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.1 t -73.96 75.03 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -105.51 163.67 12.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -52.25 -35.01 48.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.93 32.34 7.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.14 110.34 22.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.347 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.2 p -89.96 116.95 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.671 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.0 m-85 -62.66 -13.38 31.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -84.53 -53.33 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.81 -60.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.93 -42.83 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.502 HD13 HD23 ' A' ' 16' ' ' LEU . 21.2 mt -100.05 -16.06 18.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.43 34.62 60.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.509 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.9 170.62 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.6 177.32 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 41' ' ' VAL . 13.0 t -52.57 -29.61 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.6 tp -55.29 -58.82 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -52.81 -45.42 67.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 44' ' ' VAL . 27.7 m -57.61 -51.49 69.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 37' ' ' SER . 82.4 t -55.47 -53.18 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.44 -51.01 61.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -56.73 -50.6 71.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 40' ' ' THR . 87.8 t -51.58 -50.99 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.2 mmm -58.26 -46.58 85.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.58 24.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -61.37 -35.22 76.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' HG2' HG23 ' A' ' 53' ' ' VAL . 5.4 tt0 -59.45 -50.04 75.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -74.57 -26.69 60.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -65.94 -48.12 72.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -87.8 -24.45 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.84 55.03 2.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.557 HG23 ' HG2' ' A' ' 48' ' ' GLU . 26.9 m -119.72 170.63 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 111.139 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -134.41 106.94 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.549 HG21 ' CE1' ' A' ' 72' ' ' PHE . 3.2 pt -126.21 155.8 73.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.674 0.749 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.7 48.75 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -73.42 -24.64 60.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -70.25 -49.57 48.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -56.29 -24.97 46.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.7 65.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -73.19 -24.97 60.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -77.6 -18.84 56.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 62.1 mt -78.55 93.21 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.54 -53.99 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -89.96 156.76 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.198 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.671 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 88.7 t -51.67 -47.61 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.25 -32.96 37.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.73 -55.97 9.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -56.82 -48.78 77.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.558 HG22 HG21 ' A' ' 8' ' ' VAL . 96.3 t -60.11 -54.08 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -55.27 -34.75 64.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.549 ' CE1' HG21 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -67.09 -57.04 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.4 mt -54.01 -39.66 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.737 ' HB2' HG21 ' A' ' 4' ' ' THR . 32.7 t0 -69.44 -41.13 76.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -63.85 -48.25 77.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.93 -25.81 61.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -58.71 -35.74 73.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.132 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -149.94 145.0 26.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -97.06 -41.85 8.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.64 HG21 ' HB2' ' A' ' 74' ' ' ASP . 32.7 m -68.12 -47.45 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.66 35.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.77 -49.73 62.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -45.16 79.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.96 HG21 HG22 ' A' ' 70' ' ' VAL . 96.0 t -61.12 -63.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.675 ' CB ' HG11 ' A' ' 23' ' ' VAL . 15.4 ptpt -52.89 -28.81 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -68.73 -55.29 11.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 47' ' ' PHE . 80.3 mt -64.12 -26.06 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 8' ' ' VAL . 98.1 t -75.37 -48.0 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 18' ' ' VAL . 90.8 t -70.54 -29.07 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.24 -24.97 36.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -90.12 -54.66 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.32 -27.24 60.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.35 33.24 68.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.72 ' O ' HG13 ' A' ' 13' ' ' VAL . 18.8 m -106.89 -173.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 111.102 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -75.35 141.48 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.43 -32.2 54.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -55.12 -32.97 62.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' O ' HG23 ' A' ' 24' ' ' THR . 48.3 mttt -68.58 -24.88 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.675 HG11 ' CB ' ' A' ' 9' ' ' LYS . 60.6 t -61.74 94.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 22' ' ' LYS . 24.7 p -124.61 151.91 44.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -52.11 -33.9 41.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.58 32.35 7.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.52 111.49 23.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -88.66 116.47 26.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.681 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 26.2 m-85 -62.41 -13.56 31.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.646 HD11 ' OG1' ' A' ' 40' ' ' THR . 47.2 mm -84.56 -53.37 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.8 -60.98 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -42.7 -42.65 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.2 mt -99.99 -16.74 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.14 37.01 60.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -99.22 172.2 7.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -107.22 176.0 5.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -52.03 -33.21 37.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.1 mt -51.98 -57.3 9.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -43.07 71.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.646 ' OG1' HD11 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -54.97 -60.55 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.87 -29.67 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -68.14 -55.39 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.572 HD21 HG22 ' A' ' 12' ' ' VAL . 2.8 tp -59.61 -43.22 93.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 40' ' ' THR . 65.6 t -61.58 -50.77 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 29.9 mmm -55.91 -50.24 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.14 82.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 11' ' ' ILE . 9.0 m-85 -57.08 -45.99 82.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.769 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -64.75 -35.83 82.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -75.71 -24.55 56.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -84.78 -46.81 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.43 ' CD1' HG21 ' A' ' 73' ' ' ILE . 15.7 m-85 -79.69 -24.44 41.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.96 55.65 3.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.769 HG23 ' HG3' ' A' ' 48' ' ' GLU . 18.6 m -130.2 146.93 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -108.1 119.14 38.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.2 pt -126.23 155.99 73.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 172.11 13.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -68.6 -41.5 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -56.04 -25.6 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.69 -54.72 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.82 -25.22 40.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.82 -26.07 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.413 ' O ' HD12 ' A' ' 64' ' ' LEU . 81.2 p -86.28 -18.81 31.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 71.0 mt -88.69 99.55 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -110.55 -54.06 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.3 p -97.85 164.72 12.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.681 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 76.3 t -52.79 -47.86 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.08 -31.81 34.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -55.96 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -56.72 -44.93 82.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.96 HG22 HG21 ' A' ' 8' ' ' VAL . 93.0 t -64.15 -50.38 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -59.76 -30.48 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -54.92 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.43 HG21 ' CD1' ' A' ' 51' ' ' PHE . 53.9 mt -57.81 -36.97 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.64 ' HB2' HG21 ' A' ' 4' ' ' THR . 30.5 t0 -71.58 -48.81 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.29 -25.78 67.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.67 -24.73 23.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 p -58.62 -29.32 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.505 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 3.1 p -122.86 108.28 12.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -92.75 -62.3 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.3 m -66.98 -47.41 71.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 2' ' ' SER . . . -52.21 -49.32 64.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -52.07 -45.54 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -62.71 -55.96 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 12' ' ' VAL . 80.3 t -51.81 -55.55 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 13' ' ' VAL . 39.2 mttt -53.74 -48.85 69.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -51.89 -53.02 45.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.44 -35.99 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 8' ' ' VAL . 95.6 t -67.93 -32.09 54.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.711 HG13 ' O ' ' A' ' 18' ' ' VAL . 66.0 t -80.9 -32.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.22 -24.94 37.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -90.98 -49.02 6.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.869 HD12 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -79.11 -32.14 44.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.2 34.55 46.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.869 HG13 HD12 ' A' ' 16' ' ' LEU . 15.6 m -106.87 -178.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.159 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -85.92 140.29 30.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.42 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -27.96 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -88.86 -25.47 22.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.76 85.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.1 p -125.5 157.73 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -52.19 -29.63 23.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.69 30.14 7.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.14 112.39 24.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -88.25 117.22 27.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.684 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 23.5 m-85 -62.64 -13.41 31.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.3 mm -84.48 -53.53 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.84 -60.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -42.97 -42.53 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.29 -16.17 17.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.64 34.16 60.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.491 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -101.68 172.86 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.087 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -109.67 178.24 4.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 41' ' ' VAL . 58.4 p -52.09 -34.91 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.77 -51.66 59.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -56.2 -47.35 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.2 m -56.51 -47.15 79.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 37' ' ' SER . 48.6 t -59.27 -53.64 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -52.01 -49.15 63.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.744 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 12.1 mt -57.09 -52.18 66.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 40' ' ' THR . 90.5 t -51.92 -47.87 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.9 mtp -59.94 -45.74 91.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.6 -55.27 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.744 ' CZ ' HD22 ' A' ' 43' ' ' LEU . 15.3 m-85 -58.61 -40.13 82.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.79 -38.64 88.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -77.44 -28.44 52.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.04 -53.02 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -79.89 -24.51 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.5 59.44 3.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -119.69 174.97 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.38 109.02 13.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 56' ' ' PRO . 2.7 pp -126.16 153.1 74.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.403 ' O ' HD12 ' A' ' 55' ' ' ILE . 53.8 Cg_endo -69.74 160.75 48.56 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.374 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -72.48 -26.25 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.45 -26.19 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.539 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -51.77 -35.64 44.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.57 -28.16 44.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -89.0 -26.12 21.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.4 p -77.55 -18.8 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 69' ' ' ALA . 78.2 mt -92.51 108.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.87 -58.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.0 p -100.09 164.53 11.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.684 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 58.1 t -51.61 -41.33 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.31 52.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -67.93 -55.86 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.501 ' HB2' HG21 ' A' ' 63' ' ' ILE . . . -52.87 -51.74 59.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.43 -52.99 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -56.44 -30.0 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -72.12 -52.09 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.33 -36.64 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -71.78 -51.07 24.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -60.16 -31.39 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.75 -26.52 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 t -58.93 -45.71 89.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mtt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.804 0.335 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -76.99 112.29 13.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -92.9 -41.84 9.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.567 HG21 ' HB2' ' A' ' 74' ' ' ASP . 8.7 m -73.99 -43.26 58.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.57 -52.9 60.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.9 -44.43 74.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -59.0 -56.51 21.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.698 ' O ' HG23 ' A' ' 12' ' ' VAL . 92.1 t -51.73 -56.6 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.2 mtpm? -51.83 -44.56 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.53 -54.61 43.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.3 -30.56 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 8' ' ' VAL . 96.9 t -75.04 -34.22 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.748 HG13 ' O ' ' A' ' 18' ' ' VAL . 91.0 t -75.46 -35.07 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -81.18 -26.14 36.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -88.77 -54.31 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.892 HD12 HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -74.39 -34.61 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.9 25.62 52.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.892 HG13 HD12 ' A' ' 16' ' ' LEU . 13.0 m -106.96 179.39 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -75.51 145.74 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -76.5 -36.45 57.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.78 -38.76 64.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -68.13 -25.89 65.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.86 86.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.8 p -113.51 164.73 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -53.6 -32.91 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.55 32.31 6.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.439 ' HB3' HG23 ' A' ' 66' ' ' VAL . . . -104.77 109.72 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.553 ' OG ' HG22 ' A' ' 65' ' ' THR . 71.0 m -90.93 116.3 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.648 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 26.2 m-85 -62.53 -13.33 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -84.38 -53.52 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.75 -60.82 1.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.66 -42.48 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.3 mt -100.28 -16.76 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.56 35.92 59.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -98.56 -173.98 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -123.0 175.97 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.6 t -51.9 -36.44 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 mt -52.75 -50.32 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -51.36 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 44' ' ' VAL . 6.6 m -53.15 -50.23 64.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 37' ' ' SER . 94.6 t -56.07 -51.79 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.18 -52.42 52.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -54.53 -51.53 64.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.718 HG12 ' OE2' ' A' ' 48' ' ' GLU . 97.1 t -51.71 -50.12 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 mtp -56.93 -49.08 76.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.68 -48.71 69.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -61.24 -41.69 97.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.718 ' OE2' HG12 ' A' ' 44' ' ' VAL . 35.0 mt-10 -61.25 -40.14 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -77.77 -26.14 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.78 -54.68 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -79.79 -24.45 41.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.41 20.93 46.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 m -93.13 142.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -112.81 115.75 28.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.411 HD11 ' CG1' ' A' ' 44' ' ' VAL . 10.5 pt -126.2 156.0 72.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 169.09 19.64 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -68.11 -33.86 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -55.15 -26.58 39.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -55.28 -30.36 59.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.47 -25.57 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.58 5.71 38.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 p -116.8 -18.79 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 78.5 mt -93.56 103.79 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 mt -110.49 -42.83 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.553 HG22 ' OG ' ' A' ' 28' ' ' SER . 65.1 p -116.06 168.49 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.648 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 89.4 t -51.64 -47.51 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.14 -40.72 52.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.96 -55.93 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -56.78 -53.24 60.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.572 HG22 ' CB ' ' A' ' 8' ' ' VAL . 85.1 t -56.54 -53.15 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -56.19 -34.49 66.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -66.47 -54.16 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.9 mt -58.27 -37.16 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.567 ' HB2' HG21 ' A' ' 4' ' ' THR . 9.4 t70 -71.62 -39.74 70.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -69.26 -37.55 77.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.48 -25.19 38.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -63.27 -43.04 99.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -128.46 151.87 48.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -94.43 -45.27 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.3 m -71.82 -44.9 63.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.74 -50.19 61.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.07 -47.85 64.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -59.31 -56.1 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 12' ' ' VAL . 88.6 t -51.88 -54.34 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.1 mtpm? -51.86 -51.84 53.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -52.27 -58.66 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.4 mt -51.88 -39.29 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 8' ' ' VAL . 95.8 t -68.19 -37.55 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 9' ' ' LYS . 88.6 t -66.97 -39.46 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -81.23 -26.19 36.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.14 -59.51 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.401 HD23 HG13 ' A' ' 12' ' ' VAL . 4.5 mm? -74.3 -34.62 63.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.63 29.3 29.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.6 m -107.03 177.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.106 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.6 151.66 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.64 -33.94 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -55.31 -29.77 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -80.48 -25.72 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.1 t -66.93 88.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 p -119.95 153.53 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.11 -29.87 23.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.51 31.34 7.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.09 111.8 24.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.808 0.337 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 65' ' ' THR . 86.0 p -87.3 115.88 25.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.699 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 30.9 m-85 -62.26 -13.77 31.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mm -84.79 -53.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.194 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.58 -61.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.59 -43.02 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -99.55 -17.08 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.64 31.6 58.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -99.18 174.21 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -112.86 -178.75 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 41' ' ' VAL . 46.3 t -51.36 -32.45 25.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.13 -51.96 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -55.08 -50.25 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.726 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 m -53.75 -51.09 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 37' ' ' SER . 95.8 t -55.81 -49.76 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.55 -52.28 60.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.8 -50.51 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 40' ' ' THR . 44.6 t -53.0 -49.54 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.8 mmt -56.69 -50.86 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.11 -48.5 67.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 35.1 m-85 -63.67 -34.66 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.714 ' OE2' HG23 ' A' ' 53' ' ' VAL . 11.5 mm-40 -65.42 -42.22 92.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -78.44 -25.85 46.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -78.31 -55.75 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -79.72 -24.54 41.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.33 40.88 18.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.714 HG23 ' OE2' ' A' ' 48' ' ' GLU . 15.6 m -110.33 159.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -118.48 120.19 36.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 56' ' ' PRO . 2.7 pp -126.31 153.07 74.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.691 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 54.5 Cg_endo -69.74 161.42 46.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 0.0 112.379 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.6 -27.5 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.05 -26.23 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.753 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -55.36 -27.68 48.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.97 -24.48 53.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.66 -25.98 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.1 p -77.58 -18.78 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.6 mt -84.12 111.92 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 mt -110.5 -59.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 28' ' ' SER . 36.9 p -119.06 178.84 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.699 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 61.9 t -51.74 -42.68 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.29 -38.33 49.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.7 -56.04 10.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.3 -51.6 64.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.408 ' HA ' HG21 ' A' ' 8' ' ' VAL . 93.7 t -58.68 -55.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -54.44 -31.7 55.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.753 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -69.51 -57.38 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.429 HD11 ' CG ' ' A' ' 47' ' ' PHE . 51.6 mt -55.32 -36.48 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.56 -42.43 64.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -63.62 -39.3 94.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.53 -27.54 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 t -58.8 -30.26 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 5' ' ' ALA . 5.7 m -90.26 146.36 24.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -104.17 -46.25 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.632 ' O ' HG23 ' A' ' 8' ' ' VAL . 19.5 m -79.53 -38.73 33.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 2' ' ' SER . . . -51.86 -54.57 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -52.05 -53.91 36.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.4 ' NH1' HD11 ' A' ' 11' ' ' ILE . 1.7 tpm_? -53.29 -52.04 60.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 12' ' ' VAL . 94.6 t -51.88 -63.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.65 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.7 mttm -51.86 -33.16 35.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -62.23 -58.9 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.663 HD12 ' CE1' ' A' ' 47' ' ' PHE . 77.4 mt -60.79 -30.43 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 8' ' ' VAL . 95.5 t -69.54 -41.64 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 18' ' ' VAL . 97.0 t -74.82 -31.04 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -81.3 -24.94 36.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -86.77 -56.78 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.3 mm? -74.34 -26.84 60.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.81 34.98 62.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.702 ' O ' HG13 ' A' ' 13' ' ' VAL . 18.5 m -106.86 -173.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -84.45 146.52 27.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.41 -27.19 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.5 -26.76 67.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -82.82 -25.74 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 t -68.48 88.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -114.94 159.41 20.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -51.83 -41.95 62.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.23 32.36 6.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' HB3' HG23 ' A' ' 66' ' ' VAL . . . -97.77 110.17 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -86.35 116.47 24.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.664 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 36.3 m-85 -62.18 -13.76 30.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.654 HD11 ' OG1' ' A' ' 40' ' ' THR . 46.8 mm -84.83 -53.32 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -94.46 -61.34 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.56 -41.88 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' HA ' ' A' ' 29' ' ' PHE . 21.4 mt -100.13 -21.16 15.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.71 21.57 61.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -88.04 169.92 11.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.15 -176.48 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.8 m -51.76 -30.51 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.0 mt -52.06 -49.84 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -64.09 -36.44 84.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.655 ' O ' HG23 ' A' ' 44' ' ' VAL . 7.1 m -60.48 -60.86 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.3 t -63.12 -36.25 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.3 -48.81 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tp -62.69 -46.63 87.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 40' ' ' THR . 91.4 t -58.5 -45.92 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.7 mtp -61.48 -48.15 82.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.38 -54.1 47.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.663 ' CE1' HD12 ' A' ' 11' ' ' ILE . 18.6 m-85 -57.1 -44.3 83.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.05 -39.86 83.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.14 -26.65 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.76 -51.61 12.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.77 -24.46 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.95 53.38 5.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.6 m -117.51 179.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -134.41 113.04 11.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.414 HD11 ' CG1' ' A' ' 44' ' ' VAL . 11.2 pt -126.24 155.96 73.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.729 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 171.69 14.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -73.31 -33.24 65.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.557 ' O ' HG23 ' A' ' 62' ' ' THR . 75.9 m-20 -59.28 -25.15 63.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.35 60.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.64 -26.47 33.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -86.18 -26.13 25.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 58' ' ' ASP . 20.5 p -87.5 -18.94 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.506 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 68.5 mt -92.32 98.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.74 -55.47 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 p -93.54 171.34 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.664 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 85.7 t -60.61 -48.5 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.33 -31.72 35.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -69.15 -56.08 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.506 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -58.07 -39.44 78.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.664 HG22 HG11 ' A' ' 8' ' ' VAL . 97.0 t -65.57 -54.73 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -57.6 -33.5 68.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -58.29 4.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.9 mt -55.56 -36.71 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB2' HG21 ' A' ' 4' ' ' THR . 24.8 t0 -70.85 -42.15 70.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -62.37 -44.34 96.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.89 -25.22 48.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -58.67 -27.56 64.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.89 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.597 ' HB3' ' HB3' ' A' ' 5' ' ' ALA . 5.8 m -120.67 119.15 32.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.75 -60.34 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.5 m -65.91 -48.47 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 2' ' ' SER . . . -51.77 -53.36 40.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.95 -42.68 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -61.83 -50.27 72.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 12' ' ' VAL . 63.8 t -57.42 -60.07 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.675 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.5 mtmt -51.88 -42.35 62.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -57.05 -58.71 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.3 mt -56.41 -33.76 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 8' ' ' VAL . 97.8 t -69.75 -42.3 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 18' ' ' VAL . 91.9 t -67.92 -35.26 71.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -81.18 -25.87 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -83.42 -57.66 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.41 -30.93 62.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.45 33.79 38.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.712 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.7 m -106.93 -178.42 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -83.29 145.3 29.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.07 -32.25 63.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -54.73 -27.11 38.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -86.66 -26.51 24.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -64.61 92.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.7 p -124.1 154.23 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.89 -29.87 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.45 31.29 6.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.438 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.05 112.7 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.473 ' OG ' HG22 ' A' ' 65' ' ' THR . 58.9 m -87.78 116.91 26.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.682 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 25.0 m-85 -62.59 -13.41 31.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.643 HD11 ' OG1' ' A' ' 40' ' ' THR . 48.0 mm -84.4 -53.65 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.97 -60.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -42.79 -42.05 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.69 -16.71 17.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.45 36.14 59.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.39 172.89 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -108.19 176.76 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.9 m -52.07 -32.87 36.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.7 tp -52.01 -55.66 19.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -58.61 -36.53 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.643 ' OG1' HD11 ' A' ' 30' ' ' ILE . 1.3 m -59.06 -60.54 3.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -61.45 -32.42 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -66.5 -55.51 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.501 HD22 ' HZ ' ' A' ' 47' ' ' PHE . 11.7 mt -58.98 -52.71 64.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 40' ' ' THR . 57.5 t -54.43 -53.18 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.98 -40.15 72.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.23 -54.47 45.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.501 ' HZ ' HD22 ' A' ' 43' ' ' LEU . 13.1 m-85 -56.54 -44.29 80.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.728 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -59.42 -45.24 92.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -70.07 -27.0 64.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.36 -38.47 41.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -83.55 -24.44 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.52 31.98 8.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.728 HG23 ' HG3' ' A' ' 48' ' ' GLU . 26.8 m -118.62 159.3 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -125.33 131.07 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 56' ' ' PRO . 2.2 pp -126.2 153.22 74.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.646 0.736 . . . . 0.0 111.196 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.528 ' O ' HD12 ' A' ' 55' ' ' ILE . 54.2 Cg_endo -69.71 164.54 34.12 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.59 -33.97 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -33.61 74.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.619 ' HB1' ' CZ ' ' A' ' 72' ' ' PHE . . . -58.31 -27.09 63.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.9 -25.09 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -81.78 -26.18 34.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.2 p -77.68 -18.78 56.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.6 mt -90.72 100.27 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mt -110.5 -58.79 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.473 HG22 ' OG ' ' A' ' 28' ' ' SER . 43.4 p -94.5 164.0 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.682 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 57.5 t -51.62 -43.95 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.57 -36.01 46.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -69.1 -55.94 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.79 -47.74 73.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 66' ' ' VAL . 95.6 t -61.97 -54.74 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -54.1 -32.87 56.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.619 ' CZ ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -70.09 -57.56 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.576 HD13 HG22 ' A' ' 8' ' ' VAL . 17.5 mt -55.47 -34.65 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -77.51 -36.2 52.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -63.35 -44.98 93.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.55 5.85 37.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -63.88 -32.53 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.598 HG21 ' HB2' ' A' ' 74' ' ' ASP . 5.8 m -78.62 -45.17 22.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.465 ' HB1' ' HE3' ' A' ' 9' ' ' LYS . . . -51.68 -57.46 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -52.94 -41.12 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -63.62 -60.32 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 12' ' ' VAL . 78.7 t -51.67 -55.67 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 13' ' ' VAL . 28.4 mttm -53.05 -48.37 67.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -54.63 -53.33 56.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.5 mt -58.17 -37.55 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 8' ' ' VAL . 88.2 t -67.11 -38.19 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 18' ' ' VAL . 84.2 t -72.65 -34.2 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -81.22 -26.13 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -86.81 -55.26 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 33' ' ' LEU . 65.8 mt -74.34 -33.99 63.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.63 30.26 40.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.472 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.724 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.3 m -106.91 -173.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -78.23 148.22 34.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.12 -38.33 52.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -53.7 -39.92 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -65.2 -26.02 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.1 79.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.6 p -110.79 165.08 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -52.39 -37.64 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.79 31.14 6.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.97 109.87 21.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.477 ' OG ' HG22 ' A' ' 65' ' ' THR . 69.0 m -90.87 117.17 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.645 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.5 m-85 -62.69 -13.31 30.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.2 mm -84.33 -53.42 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.79 -60.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -42.9 -42.87 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 16' ' ' LEU . 21.0 mt -100.03 -16.1 18.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.73 34.03 59.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.76 171.59 7.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.092 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.28 178.96 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.629 ' O ' HG23 ' A' ' 41' ' ' VAL . 20.8 t -52.64 -32.45 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.21 -56.11 21.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.433 ' O ' HD23 ' A' ' 43' ' ' LEU . 18.3 t70 -52.99 -47.37 68.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.714 ' O ' HG23 ' A' ' 44' ' ' VAL . 26.4 m -55.92 -49.11 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 37' ' ' SER . 62.0 t -57.35 -52.12 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -52.66 -51.58 59.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.757 HD12 ' CZ ' ' A' ' 47' ' ' PHE . 3.9 mm? -55.67 -49.84 71.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 40' ' ' THR . 72.3 t -53.23 -48.67 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.0 mmt -59.5 -45.2 92.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.5 -51.63 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.757 ' CZ ' HD12 ' A' ' 43' ' ' LEU . 18.2 m-85 -61.81 -40.09 94.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' HG2' HG23 ' A' ' 53' ' ' VAL . 1.9 tt0 -60.69 -41.73 95.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -32.88 60.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.08 -53.87 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -79.71 -24.48 41.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.52 56.41 3.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.5 HG23 ' HG2' ' A' ' 48' ' ' GLU . 35.2 m -120.48 177.15 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -134.11 110.35 9.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.38 155.98 64.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.66 16.06 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -73.18 -38.82 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.34 -26.15 60.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -51.75 -47.2 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.73 -25.74 41.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -78.81 -29.08 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.5 p -83.58 -18.78 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.519 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 71.7 mt -86.76 102.5 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.1 mt -110.42 -58.89 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.477 HG22 ' OG ' ' A' ' 28' ' ' SER . 74.6 p -97.87 167.0 11.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.645 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 88.8 t -51.92 -47.79 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.15 -35.33 41.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.0 -55.96 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.335 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.519 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -58.24 -47.02 84.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.674 ' HA ' HG21 ' A' ' 8' ' ' VAL . 60.1 t -60.47 -54.17 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -55.41 -37.47 67.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.479 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -64.45 -55.52 20.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.7 mt -55.32 -39.56 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.598 ' HB2' HG21 ' A' ' 4' ' ' THR . 42.0 t0 -68.19 -40.01 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -65.49 -47.29 76.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.26 -25.27 60.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -58.93 -30.36 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.607 HG21 ' HB2' ' A' ' 74' ' ' ASP . 52.6 m -66.17 -48.56 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.7 -48.08 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.74 -54.84 24.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -56.78 -42.59 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 12' ' ' VAL . 97.4 t -63.21 -64.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 13' ' ' VAL . 25.5 pttt -53.75 -32.32 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -64.66 -57.59 8.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.75 -32.77 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 8' ' ' VAL . 97.1 t -67.92 -45.7 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 18' ' ' VAL . 91.2 t -69.95 -31.2 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -81.26 -25.16 36.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -87.84 -54.69 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.807 HD12 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -75.15 -30.34 60.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.0 32.82 56.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.454 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.807 HG13 HD12 ' A' ' 16' ' ' LEU . 18.2 m -106.9 -177.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.76 140.11 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.47 -29.88 65.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -55.19 -26.6 40.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -83.8 -26.1 29.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.93 80.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -118.57 167.77 11.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -53.05 -32.23 45.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.36 8.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.41 ' HB3' HG23 ' A' ' 66' ' ' VAL . . . -104.67 109.68 21.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.781 0.324 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.41 ' OG ' HG22 ' A' ' 65' ' ' THR . 1.5 m -91.11 116.4 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.8 m-85 -62.73 -13.19 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.7 mm -84.22 -53.56 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -94.95 -60.73 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -42.87 -42.28 3.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.61 -16.42 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.74 34.72 59.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.4 171.54 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.076 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -108.14 176.09 5.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.711 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.7 p -52.05 -39.94 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.01 -51.88 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -51.15 60.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.683 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -56.5 -47.72 78.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 37' ' ' SER . 40.4 t -54.75 -51.51 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -56.68 -52.68 63.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.665 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 11.2 mt -53.18 -50.78 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 40' ' ' THR . 88.1 t -54.23 -52.27 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 21.8 mtt -54.69 -42.94 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.62 -53.87 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.665 ' CZ ' HD22 ' A' ' 43' ' ' LEU . 19.1 m-85 -55.51 -42.23 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.751 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -66.26 -35.79 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.41 -27.47 60.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -84.39 -42.15 15.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -80.25 -24.46 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.22 48.24 7.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.751 HG23 ' HG3' ' A' ' 48' ' ' GLU . 6.4 m -119.87 163.32 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.092 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -123.96 111.49 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.567 HD11 ' OE2' ' A' ' 48' ' ' GLU . 9.7 pt -126.22 155.97 73.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.728 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 148.11 64.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -52.25 -39.43 60.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 62' ' ' THR . 38.6 m-20 -53.1 -28.96 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.14 -53.61 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.555 ' HA ' HG21 ' A' ' 44' ' ' VAL . . . -54.57 -26.76 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -86.0 -26.04 25.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 58' ' ' ASP . 47.8 p -81.03 -18.85 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.54 HG21 ' HB2' ' A' ' 69' ' ' ALA . 52.6 mt -85.01 109.99 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -110.51 -41.02 4.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.41 HG22 ' OG ' ' A' ' 28' ' ' SER . 82.2 p -115.23 167.24 11.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.615 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 96.5 t -53.11 -38.43 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.02 38.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.49 -55.38 35.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' A' ' 63' ' ' ILE . . . -51.66 -47.77 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 66' ' ' VAL . 82.5 t -62.8 -57.04 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -34.65 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -60.44 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.3 mt -56.76 -26.98 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.607 ' HB2' HG21 ' A' ' 4' ' ' THR . 59.7 t0 -76.64 -60.19 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -57.38 -29.92 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.7 -25.31 41.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 p -58.62 -32.61 69.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.882 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.88 0.371 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.559 HG21 ' HB2' ' A' ' 74' ' ' ASP . 3.5 m -67.74 -53.43 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.73 -53.1 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -51.84 -49.71 62.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -56.07 -46.75 78.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 12' ' ' VAL . 97.2 t -61.01 -64.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 13' ' ' VAL . 10.2 pttp -52.65 -29.58 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -66.98 -57.76 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.32 -29.26 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 8' ' ' VAL . 98.4 t -71.02 -47.46 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 18' ' ' VAL . 95.3 t -70.39 -29.25 38.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -81.16 -25.37 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -54.75 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD21 HD21 ' A' ' 43' ' ' LEU . 4.4 mm? -74.44 -25.56 59.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.53 34.84 79.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.1 m -106.88 -173.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.75 142.09 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.15 -31.71 58.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -55.2 -26.73 41.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -82.97 -26.04 31.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -71.81 80.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.8 p -118.85 166.75 12.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.07 -29.16 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.55 29.46 11.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.96 109.54 21.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -91.04 116.61 28.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.65 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.6 m-85 -62.83 -13.13 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.2 mm -84.36 -53.6 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.79 -60.79 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -42.92 -42.61 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.25 -16.31 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.82 34.14 59.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.62 169.79 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.05 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -105.49 -179.99 4.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.679 ' O ' HG23 ' A' ' 41' ' ' VAL . 5.8 m -55.96 -33.37 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.19 -54.29 48.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.482 ' HB3' ' HB1' ' A' ' 35' ' ' ALA . 6.6 t70 -51.96 -53.36 42.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -52.88 -53.32 50.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 37' ' ' SER . 92.2 t -52.63 -44.81 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -58.99 -55.11 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.678 HD21 HD21 ' A' ' 16' ' ' LEU . 12.5 mt -54.21 -53.85 47.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.536 ' CG2' HG21 ' A' ' 63' ' ' ILE . 97.8 t -51.73 -47.89 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.4 mtp -58.66 -43.31 89.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.21 -52.49 65.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -57.6 -44.23 85.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.756 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -61.36 -40.25 93.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -71.75 -30.08 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.09 -36.88 47.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -83.95 -24.43 30.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.21 24.79 33.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.756 HG23 ' HG3' ' A' ' 48' ' ' GLU . 27.7 m -106.96 145.99 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 111.102 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -116.76 121.31 41.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 72' ' ' PHE . 11.1 pt -126.21 155.96 72.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 158.78 55.81 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.06 -25.15 61.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -69.02 -46.54 67.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.78 -34.86 71.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.51 -24.9 49.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.94 -24.45 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.0 p -77.65 -18.72 56.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.536 HG21 ' CG2' ' A' ' 44' ' ' VAL . 32.6 mm -65.91 91.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.3 mt -110.49 -58.93 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.6 p -107.07 165.67 11.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.65 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 90.6 t -51.67 -43.26 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.09 -43.74 56.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.9 -55.94 24.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.28 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.505 ' HA ' HG21 ' A' ' 8' ' ' VAL . 96.1 t -54.6 -55.51 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -52.74 -35.57 56.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.536 ' CE1' HG21 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -66.17 -59.53 3.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.2 mt -52.31 -37.2 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.559 ' HB2' HG21 ' A' ' 4' ' ' THR . 16.8 t0 -71.37 -40.03 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -25.77 62.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.31 -25.03 20.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -58.6 -27.41 64.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.737 HG21 ' HB2' ' A' ' 74' ' ' ASP . 22.5 m -71.3 -55.3 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.68 -55.03 21.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -51.83 -48.13 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -56.2 -45.84 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 12' ' ' VAL . 92.9 t -61.2 -64.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.608 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.6 ptpp? -53.31 -29.59 34.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -67.08 -57.38 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.2 mt -61.12 -30.24 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 8' ' ' VAL . 99.7 t -70.47 -47.78 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 18' ' ' VAL . 87.7 t -69.67 -29.23 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -81.32 -24.94 36.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.64 -54.84 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.502 HD23 HD13 ' A' ' 33' ' ' LEU . 8.7 mp -74.34 -27.81 60.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.11 32.91 65.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.719 ' O ' HG13 ' A' ' 13' ' ' VAL . 29.1 m -106.79 -174.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.3 143.41 42.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.55 -32.45 53.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.98 -33.69 62.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -70.55 -24.99 62.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.1 t -73.96 75.03 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -105.51 163.67 12.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -52.25 -35.01 48.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.93 32.34 7.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.14 110.34 22.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.347 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.2 p -89.96 116.95 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.671 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.0 m-85 -62.66 -13.38 31.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -84.53 -53.33 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.81 -60.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.93 -42.83 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.502 HD13 HD23 ' A' ' 16' ' ' LEU . 21.2 mt -100.05 -16.06 18.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.43 34.62 60.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.509 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.9 170.62 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.6 177.32 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 41' ' ' VAL . 13.0 t -52.57 -29.61 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.6 tp -55.29 -58.82 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -52.81 -45.42 67.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 44' ' ' VAL . 27.7 m -57.61 -51.49 69.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 37' ' ' SER . 82.4 t -55.47 -53.18 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.44 -51.01 61.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -56.73 -50.6 71.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 40' ' ' THR . 87.8 t -51.58 -50.99 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.2 mmm -58.26 -46.58 85.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.58 24.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -61.37 -35.22 76.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' HG2' HG23 ' A' ' 53' ' ' VAL . 5.4 tt0 -59.45 -50.04 75.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -74.57 -26.69 60.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -65.94 -48.12 72.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -87.8 -24.45 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.84 55.03 2.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.557 HG23 ' HG2' ' A' ' 48' ' ' GLU . 26.9 m -119.72 170.63 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 111.139 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -134.41 106.94 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.549 HG21 ' CE1' ' A' ' 72' ' ' PHE . 3.2 pt -126.21 155.8 73.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.674 0.749 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.7 48.75 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -73.42 -24.64 60.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -70.25 -49.57 48.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -56.29 -24.97 46.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.7 65.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -73.19 -24.97 60.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -77.6 -18.84 56.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 62.1 mt -78.55 93.21 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.54 -53.99 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -89.96 156.76 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.198 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.671 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 88.7 t -51.67 -47.61 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.25 -32.96 37.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.73 -55.97 9.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -56.82 -48.78 77.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.558 HG22 HG21 ' A' ' 8' ' ' VAL . 96.3 t -60.11 -54.08 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -55.27 -34.75 64.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.549 ' CE1' HG21 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -67.09 -57.04 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.4 mt -54.01 -39.66 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.737 ' HB2' HG21 ' A' ' 4' ' ' THR . 32.7 t0 -69.44 -41.13 76.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -63.85 -48.25 77.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.93 -25.81 61.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -58.71 -35.74 73.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.132 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.899 0.381 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.64 HG21 ' HB2' ' A' ' 74' ' ' ASP . 32.7 m -68.12 -47.45 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.66 35.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.77 -49.73 62.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -45.16 79.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.96 HG21 HG22 ' A' ' 70' ' ' VAL . 96.0 t -61.12 -63.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.675 ' CB ' HG11 ' A' ' 23' ' ' VAL . 15.4 ptpt -52.89 -28.81 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -68.73 -55.29 11.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 47' ' ' PHE . 80.3 mt -64.12 -26.06 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 8' ' ' VAL . 98.1 t -75.37 -48.0 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 18' ' ' VAL . 90.8 t -70.54 -29.07 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.24 -24.97 36.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -90.12 -54.66 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.32 -27.24 60.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.35 33.24 68.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.72 ' O ' HG13 ' A' ' 13' ' ' VAL . 18.8 m -106.89 -173.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 111.102 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -75.35 141.48 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.43 -32.2 54.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -55.12 -32.97 62.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' O ' HG23 ' A' ' 24' ' ' THR . 48.3 mttt -68.58 -24.88 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.675 HG11 ' CB ' ' A' ' 9' ' ' LYS . 60.6 t -61.74 94.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 22' ' ' LYS . 24.7 p -124.61 151.91 44.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -52.11 -33.9 41.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.58 32.35 7.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.52 111.49 23.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -88.66 116.47 26.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.681 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 26.2 m-85 -62.41 -13.56 31.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.646 HD11 ' OG1' ' A' ' 40' ' ' THR . 47.2 mm -84.56 -53.37 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.8 -60.98 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -42.7 -42.65 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.2 mt -99.99 -16.74 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.14 37.01 60.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -99.22 172.2 7.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -107.22 176.0 5.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -52.03 -33.21 37.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.1 mt -51.98 -57.3 9.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -43.07 71.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.646 ' OG1' HD11 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -54.97 -60.55 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.87 -29.67 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -68.14 -55.39 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.572 HD21 HG22 ' A' ' 12' ' ' VAL . 2.8 tp -59.61 -43.22 93.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 40' ' ' THR . 65.6 t -61.58 -50.77 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 29.9 mmm -55.91 -50.24 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.14 82.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 11' ' ' ILE . 9.0 m-85 -57.08 -45.99 82.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.769 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -64.75 -35.83 82.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -75.71 -24.55 56.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -84.78 -46.81 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.43 ' CD1' HG21 ' A' ' 73' ' ' ILE . 15.7 m-85 -79.69 -24.44 41.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.96 55.65 3.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.769 HG23 ' HG3' ' A' ' 48' ' ' GLU . 18.6 m -130.2 146.93 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -108.1 119.14 38.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.2 pt -126.23 155.99 73.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 172.11 13.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -68.6 -41.5 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -56.04 -25.6 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.69 -54.72 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.82 -25.22 40.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.82 -26.07 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.413 ' O ' HD12 ' A' ' 64' ' ' LEU . 81.2 p -86.28 -18.81 31.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 71.0 mt -88.69 99.55 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -110.55 -54.06 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.3 p -97.85 164.72 12.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.681 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 76.3 t -52.79 -47.86 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.08 -31.81 34.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -55.96 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.432 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -56.72 -44.93 82.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.96 HG22 HG21 ' A' ' 8' ' ' VAL . 93.0 t -64.15 -50.38 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -59.76 -30.48 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -54.92 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.43 HG21 ' CD1' ' A' ' 51' ' ' PHE . 53.9 mt -57.81 -36.97 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.64 ' HB2' HG21 ' A' ' 4' ' ' THR . 30.5 t0 -71.58 -48.81 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.29 -25.78 67.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.67 -24.73 23.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 p -58.62 -29.32 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.2 t0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.3 m -66.98 -47.41 71.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.21 -49.32 64.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -52.07 -45.54 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -62.71 -55.96 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 12' ' ' VAL . 80.3 t -51.81 -55.55 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 13' ' ' VAL . 39.2 mttt -53.74 -48.85 69.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -51.89 -53.02 45.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.44 -35.99 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 8' ' ' VAL . 95.6 t -67.93 -32.09 54.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.711 HG13 ' O ' ' A' ' 18' ' ' VAL . 66.0 t -80.9 -32.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.22 -24.94 37.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -90.98 -49.02 6.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.869 HD12 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -79.11 -32.14 44.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.2 34.55 46.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.869 HG13 HD12 ' A' ' 16' ' ' LEU . 15.6 m -106.87 -178.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.159 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -85.92 140.29 30.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.42 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -27.96 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -88.86 -25.47 22.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.76 85.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.1 p -125.5 157.73 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -52.19 -29.63 23.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.69 30.14 7.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.14 112.39 24.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -88.25 117.22 27.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.684 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 23.5 m-85 -62.64 -13.41 31.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.3 mm -84.48 -53.53 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.84 -60.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -42.97 -42.53 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.29 -16.17 17.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.64 34.16 60.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.491 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -101.68 172.86 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.087 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -109.67 178.24 4.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 41' ' ' VAL . 58.4 p -52.09 -34.91 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.77 -51.66 59.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -56.2 -47.35 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.2 m -56.51 -47.15 79.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 37' ' ' SER . 48.6 t -59.27 -53.64 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -52.01 -49.15 63.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.744 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 12.1 mt -57.09 -52.18 66.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 40' ' ' THR . 90.5 t -51.92 -47.87 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.9 mtp -59.94 -45.74 91.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.6 -55.27 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.744 ' CZ ' HD22 ' A' ' 43' ' ' LEU . 15.3 m-85 -58.61 -40.13 82.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.79 -38.64 88.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -77.44 -28.44 52.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.04 -53.02 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -79.89 -24.51 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.5 59.44 3.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -119.69 174.97 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.38 109.02 13.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 56' ' ' PRO . 2.7 pp -126.16 153.1 74.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.403 ' O ' HD12 ' A' ' 55' ' ' ILE . 53.8 Cg_endo -69.74 160.75 48.56 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.374 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -72.48 -26.25 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.45 -26.19 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.539 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -51.77 -35.64 44.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.57 -28.16 44.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -89.0 -26.12 21.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.4 p -77.55 -18.8 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 69' ' ' ALA . 78.2 mt -92.51 108.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.87 -58.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.0 p -100.09 164.53 11.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.684 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 58.1 t -51.61 -41.33 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.31 52.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -67.93 -55.86 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.501 ' HB2' HG21 ' A' ' 63' ' ' ILE . . . -52.87 -51.74 59.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.43 -52.99 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -56.44 -30.0 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -72.12 -52.09 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.33 -36.64 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -71.78 -51.07 24.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -60.16 -31.39 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.75 -26.52 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 t -58.93 -45.71 89.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.567 HG21 ' HB2' ' A' ' 74' ' ' ASP . 8.7 m -73.99 -43.26 58.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.57 -52.9 60.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.9 -44.43 74.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -59.0 -56.51 21.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.698 ' O ' HG23 ' A' ' 12' ' ' VAL . 92.1 t -51.73 -56.6 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.2 mtpm? -51.83 -44.56 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.53 -54.61 43.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.3 -30.56 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 8' ' ' VAL . 96.9 t -75.04 -34.22 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.748 HG13 ' O ' ' A' ' 18' ' ' VAL . 91.0 t -75.46 -35.07 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -81.18 -26.14 36.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -88.77 -54.31 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.892 HD12 HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -74.39 -34.61 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.9 25.62 52.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.892 HG13 HD12 ' A' ' 16' ' ' LEU . 13.0 m -106.96 179.39 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -75.51 145.74 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -76.5 -36.45 57.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.78 -38.76 64.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -68.13 -25.89 65.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.86 86.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.8 p -113.51 164.73 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -53.6 -32.91 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.55 32.31 6.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.439 ' HB3' HG23 ' A' ' 66' ' ' VAL . . . -104.77 109.72 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.553 ' OG ' HG22 ' A' ' 65' ' ' THR . 71.0 m -90.93 116.3 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.648 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 26.2 m-85 -62.53 -13.33 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -84.38 -53.52 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.75 -60.82 1.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.66 -42.48 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.3 mt -100.28 -16.76 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.56 35.92 59.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -98.56 -173.98 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -123.0 175.97 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.6 t -51.9 -36.44 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 mt -52.75 -50.32 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -51.36 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 44' ' ' VAL . 6.6 m -53.15 -50.23 64.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 37' ' ' SER . 94.6 t -56.07 -51.79 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.18 -52.42 52.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -54.53 -51.53 64.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.718 HG12 ' OE2' ' A' ' 48' ' ' GLU . 97.1 t -51.71 -50.12 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 mtp -56.93 -49.08 76.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.68 -48.71 69.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -61.24 -41.69 97.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.718 ' OE2' HG12 ' A' ' 44' ' ' VAL . 35.0 mt-10 -61.25 -40.14 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -77.77 -26.14 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.78 -54.68 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -79.79 -24.45 41.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.41 20.93 46.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 m -93.13 142.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -112.81 115.75 28.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.411 HD11 ' CG1' ' A' ' 44' ' ' VAL . 10.5 pt -126.2 156.0 72.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 169.09 19.64 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -68.11 -33.86 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -55.15 -26.58 39.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -55.28 -30.36 59.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.47 -25.57 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.58 5.71 38.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 p -116.8 -18.79 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 78.5 mt -93.56 103.79 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 mt -110.49 -42.83 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.553 HG22 ' OG ' ' A' ' 28' ' ' SER . 65.1 p -116.06 168.49 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.648 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 89.4 t -51.64 -47.51 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.14 -40.72 52.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.96 -55.93 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -56.78 -53.24 60.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.572 HG22 ' CB ' ' A' ' 8' ' ' VAL . 85.1 t -56.54 -53.15 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -56.19 -34.49 66.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -66.47 -54.16 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.9 mt -58.27 -37.16 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.567 ' HB2' HG21 ' A' ' 4' ' ' THR . 9.4 t70 -71.62 -39.74 70.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -69.26 -37.55 77.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.48 -25.19 38.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -63.27 -43.04 99.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.935 0.398 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.3 m -71.82 -44.9 63.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.74 -50.19 61.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.07 -47.85 64.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -59.31 -56.1 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 12' ' ' VAL . 88.6 t -51.88 -54.34 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.1 mtpm? -51.86 -51.84 53.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -52.27 -58.66 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.4 mt -51.88 -39.29 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 8' ' ' VAL . 95.8 t -68.19 -37.55 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 9' ' ' LYS . 88.6 t -66.97 -39.46 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -81.23 -26.19 36.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.14 -59.51 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.401 HD23 HG13 ' A' ' 12' ' ' VAL . 4.5 mm? -74.3 -34.62 63.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.63 29.3 29.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.6 m -107.03 177.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.106 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.6 151.66 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.64 -33.94 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -55.31 -29.77 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -80.48 -25.72 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.1 t -66.93 88.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 p -119.95 153.53 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.11 -29.87 23.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.51 31.34 7.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.09 111.8 24.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.808 0.337 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 65' ' ' THR . 86.0 p -87.3 115.88 25.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.699 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 30.9 m-85 -62.26 -13.77 31.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mm -84.79 -53.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.194 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.58 -61.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.59 -43.02 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -99.55 -17.08 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.64 31.6 58.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -99.18 174.21 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -112.86 -178.75 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 41' ' ' VAL . 46.3 t -51.36 -32.45 25.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.13 -51.96 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -55.08 -50.25 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.726 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 m -53.75 -51.09 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 37' ' ' SER . 95.8 t -55.81 -49.76 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.55 -52.28 60.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.8 -50.51 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 40' ' ' THR . 44.6 t -53.0 -49.54 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.8 mmt -56.69 -50.86 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.11 -48.5 67.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 35.1 m-85 -63.67 -34.66 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.714 ' OE2' HG23 ' A' ' 53' ' ' VAL . 11.5 mm-40 -65.42 -42.22 92.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -78.44 -25.85 46.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -78.31 -55.75 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -79.72 -24.54 41.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.33 40.88 18.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.714 HG23 ' OE2' ' A' ' 48' ' ' GLU . 15.6 m -110.33 159.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -118.48 120.19 36.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 56' ' ' PRO . 2.7 pp -126.31 153.07 74.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.691 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 54.5 Cg_endo -69.74 161.42 46.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 0.0 112.379 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.6 -27.5 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.05 -26.23 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.753 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -55.36 -27.68 48.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.97 -24.48 53.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.66 -25.98 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.1 p -77.58 -18.78 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.6 mt -84.12 111.92 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 mt -110.5 -59.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 28' ' ' SER . 36.9 p -119.06 178.84 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.699 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 61.9 t -51.74 -42.68 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.29 -38.33 49.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.7 -56.04 10.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.3 -51.6 64.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.408 ' HA ' HG21 ' A' ' 8' ' ' VAL . 93.7 t -58.68 -55.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -54.44 -31.7 55.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.753 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -69.51 -57.38 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.429 HD11 ' CG ' ' A' ' 47' ' ' PHE . 51.6 mt -55.32 -36.48 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.56 -42.43 64.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -63.62 -39.3 94.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.53 -27.54 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 t -58.8 -30.26 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.632 ' O ' HG23 ' A' ' 8' ' ' VAL . 19.5 m -79.53 -38.73 33.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.86 -54.57 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -52.05 -53.91 36.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.4 ' NH1' HD11 ' A' ' 11' ' ' ILE . 1.7 tpm_? -53.29 -52.04 60.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 12' ' ' VAL . 94.6 t -51.88 -63.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.65 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.7 mttm -51.86 -33.16 35.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -62.23 -58.9 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.663 HD12 ' CE1' ' A' ' 47' ' ' PHE . 77.4 mt -60.79 -30.43 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 8' ' ' VAL . 95.5 t -69.54 -41.64 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 18' ' ' VAL . 97.0 t -74.82 -31.04 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -81.3 -24.94 36.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -86.77 -56.78 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.3 mm? -74.34 -26.84 60.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.81 34.98 62.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.702 ' O ' HG13 ' A' ' 13' ' ' VAL . 18.5 m -106.86 -173.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -84.45 146.52 27.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.41 -27.19 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.5 -26.76 67.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -82.82 -25.74 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 t -68.48 88.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -114.94 159.41 20.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -51.83 -41.95 62.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.23 32.36 6.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.413 ' HB3' HG23 ' A' ' 66' ' ' VAL . . . -97.77 110.17 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -86.35 116.47 24.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.664 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 36.3 m-85 -62.18 -13.76 30.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.654 HD11 ' OG1' ' A' ' 40' ' ' THR . 46.8 mm -84.83 -53.32 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -94.46 -61.34 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.56 -41.88 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' HA ' ' A' ' 29' ' ' PHE . 21.4 mt -100.13 -21.16 15.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.71 21.57 61.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -88.04 169.92 11.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.15 -176.48 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.8 m -51.76 -30.51 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.0 mt -52.06 -49.84 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -64.09 -36.44 84.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.655 ' O ' HG23 ' A' ' 44' ' ' VAL . 7.1 m -60.48 -60.86 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.3 t -63.12 -36.25 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.3 -48.81 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tp -62.69 -46.63 87.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 40' ' ' THR . 91.4 t -58.5 -45.92 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.7 mtp -61.48 -48.15 82.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.38 -54.1 47.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.663 ' CE1' HD12 ' A' ' 11' ' ' ILE . 18.6 m-85 -57.1 -44.3 83.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.05 -39.86 83.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.14 -26.65 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.76 -51.61 12.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.77 -24.46 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.95 53.38 5.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.6 m -117.51 179.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -134.41 113.04 11.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.414 HD11 ' CG1' ' A' ' 44' ' ' VAL . 11.2 pt -126.24 155.96 73.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.729 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 171.69 14.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -73.31 -33.24 65.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.557 ' O ' HG23 ' A' ' 62' ' ' THR . 75.9 m-20 -59.28 -25.15 63.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.35 60.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.64 -26.47 33.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -86.18 -26.13 25.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 58' ' ' ASP . 20.5 p -87.5 -18.94 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.506 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 68.5 mt -92.32 98.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.74 -55.47 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 p -93.54 171.34 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.664 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 85.7 t -60.61 -48.5 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.33 -31.72 35.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -69.15 -56.08 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.506 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -58.07 -39.44 78.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.664 HG22 HG11 ' A' ' 8' ' ' VAL . 97.0 t -65.57 -54.73 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -57.6 -33.5 68.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -58.29 4.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.9 mt -55.56 -36.71 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB2' HG21 ' A' ' 4' ' ' THR . 24.8 t0 -70.85 -42.15 70.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -62.37 -44.34 96.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.89 -25.22 48.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -58.67 -27.56 64.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.89 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.5 m -65.91 -48.47 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.408 ' HA ' HG13 ' A' ' 70' ' ' VAL . . . -51.77 -53.36 40.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.95 -42.68 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -61.83 -50.27 72.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 12' ' ' VAL . 63.8 t -57.42 -60.07 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.675 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.5 mtmt -51.88 -42.35 62.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -57.05 -58.71 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.3 mt -56.41 -33.76 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 8' ' ' VAL . 97.8 t -69.75 -42.3 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 18' ' ' VAL . 91.9 t -67.92 -35.26 71.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -81.18 -25.87 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -83.42 -57.66 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.41 -30.93 62.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.45 33.79 38.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.712 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.7 m -106.93 -178.42 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -83.29 145.3 29.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.07 -32.25 63.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -54.73 -27.11 38.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -86.66 -26.51 24.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -64.61 92.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.7 p -124.1 154.23 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.89 -29.87 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.45 31.29 6.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.438 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.05 112.7 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.473 ' OG ' HG22 ' A' ' 65' ' ' THR . 58.9 m -87.78 116.91 26.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.682 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 25.0 m-85 -62.59 -13.41 31.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.643 HD11 ' OG1' ' A' ' 40' ' ' THR . 48.0 mm -84.4 -53.65 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.97 -60.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -42.79 -42.05 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.69 -16.71 17.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.45 36.14 59.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.39 172.89 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -108.19 176.76 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.9 m -52.07 -32.87 36.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.7 tp -52.01 -55.66 19.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -58.61 -36.53 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.643 ' OG1' HD11 ' A' ' 30' ' ' ILE . 1.3 m -59.06 -60.54 3.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -61.45 -32.42 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -66.5 -55.51 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.501 HD22 ' HZ ' ' A' ' 47' ' ' PHE . 11.7 mt -58.98 -52.71 64.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 40' ' ' THR . 57.5 t -54.43 -53.18 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.98 -40.15 72.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.23 -54.47 45.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.501 ' HZ ' HD22 ' A' ' 43' ' ' LEU . 13.1 m-85 -56.54 -44.29 80.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.728 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -59.42 -45.24 92.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -70.07 -27.0 64.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.36 -38.47 41.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -83.55 -24.44 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.52 31.98 8.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.728 HG23 ' HG3' ' A' ' 48' ' ' GLU . 26.8 m -118.62 159.3 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -125.33 131.07 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 56' ' ' PRO . 2.2 pp -126.2 153.22 74.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.646 0.736 . . . . 0.0 111.196 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.528 ' O ' HD12 ' A' ' 55' ' ' ILE . 54.2 Cg_endo -69.71 164.54 34.12 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.59 -33.97 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -33.61 74.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.619 ' HB1' ' CZ ' ' A' ' 72' ' ' PHE . . . -58.31 -27.09 63.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.9 -25.09 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -81.78 -26.18 34.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.2 p -77.68 -18.78 56.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.6 mt -90.72 100.27 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mt -110.5 -58.79 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.473 HG22 ' OG ' ' A' ' 28' ' ' SER . 43.4 p -94.5 164.0 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.682 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 57.5 t -51.62 -43.95 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.57 -36.01 46.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -69.1 -55.94 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.79 -47.74 73.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 66' ' ' VAL . 95.6 t -61.97 -54.74 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -54.1 -32.87 56.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.619 ' CZ ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -70.09 -57.56 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.576 HD13 HG22 ' A' ' 8' ' ' VAL . 17.5 mt -55.47 -34.65 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -77.51 -36.2 52.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -63.35 -44.98 93.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.55 5.85 37.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -63.88 -32.53 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.758 0.313 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.579 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 71.0 m -82.65 145.93 29.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -93.27 -46.88 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.598 HG21 ' HB2' ' A' ' 74' ' ' ASP . 5.8 m -78.62 -45.17 22.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.579 ' HB3' ' HB2' ' A' ' 2' ' ' SER . . . -51.68 -57.46 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -52.94 -41.12 64.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.6 ttm-85 -63.62 -60.32 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 12' ' ' VAL . 78.7 t -51.67 -55.67 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 13' ' ' VAL . 28.4 mttm -53.05 -48.37 67.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -54.63 -53.33 56.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.5 mt -58.17 -37.55 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 8' ' ' VAL . 88.2 t -67.11 -38.19 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 18' ' ' VAL . 84.2 t -72.65 -34.2 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -81.22 -26.13 36.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -86.81 -55.26 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 33' ' ' LEU . 65.8 mt -74.34 -33.99 63.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.63 30.26 40.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.472 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.724 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.3 m -106.91 -173.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.165 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -78.23 148.22 34.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.12 -38.33 52.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -53.7 -39.92 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -65.2 -26.02 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.1 79.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.6 p -110.79 165.08 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -52.39 -37.64 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.79 31.14 6.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.97 109.87 21.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.477 ' OG ' HG22 ' A' ' 65' ' ' THR . 69.0 m -90.87 117.17 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.645 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.5 m-85 -62.69 -13.31 30.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.2 mm -84.33 -53.42 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.79 -60.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -42.9 -42.87 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.443 HD13 HD13 ' A' ' 16' ' ' LEU . 21.0 mt -100.03 -16.1 18.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.73 34.03 59.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.76 171.59 7.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.092 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.28 178.96 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.629 ' O ' HG23 ' A' ' 41' ' ' VAL . 20.8 t -52.64 -32.45 41.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.21 -56.11 21.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' O ' HD23 ' A' ' 43' ' ' LEU . 18.3 t70 -52.99 -47.37 68.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.714 ' O ' HG23 ' A' ' 44' ' ' VAL . 26.4 m -55.92 -49.11 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 37' ' ' SER . 62.0 t -57.35 -52.12 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -52.66 -51.58 59.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.757 HD12 ' CZ ' ' A' ' 47' ' ' PHE . 3.9 mm? -55.67 -49.84 71.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 40' ' ' THR . 72.3 t -53.23 -48.67 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.0 mmt -59.5 -45.2 92.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.5 -51.63 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.757 ' CZ ' HD12 ' A' ' 43' ' ' LEU . 18.2 m-85 -61.81 -40.09 94.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' HG2' HG23 ' A' ' 53' ' ' VAL . 1.9 tt0 -60.69 -41.73 95.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.51 -32.88 60.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.08 -53.87 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -79.71 -24.48 41.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.52 56.41 3.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.5 HG23 ' HG2' ' A' ' 48' ' ' GLU . 35.2 m -120.48 177.15 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -134.11 110.35 9.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.6 pt -123.38 155.98 64.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.178 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 170.66 16.06 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.308 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -73.18 -38.82 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.34 -26.15 60.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -51.75 -47.2 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.73 -25.74 41.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -78.81 -29.08 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.5 p -83.58 -18.78 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.519 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 71.7 mt -86.76 102.5 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.1 mt -110.42 -58.89 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.477 HG22 ' OG ' ' A' ' 28' ' ' SER . 74.6 p -97.87 167.0 11.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.645 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 88.8 t -51.92 -47.79 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.15 -35.33 41.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.0 -55.96 12.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.335 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.519 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -58.24 -47.02 84.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.674 ' HA ' HG21 ' A' ' 8' ' ' VAL . 60.1 t -60.47 -54.17 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -55.41 -37.47 67.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.479 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -64.45 -55.52 20.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.7 mt -55.32 -39.56 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.598 ' HB2' HG21 ' A' ' 4' ' ' THR . 42.0 t0 -68.19 -40.01 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -65.49 -47.29 76.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.26 -25.27 60.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -58.93 -30.36 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 tpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.785 0.326 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -119.52 159.12 24.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -53.61 -39.95 65.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.607 HG21 ' HB2' ' A' ' 74' ' ' ASP . 52.6 m -66.17 -48.56 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.7 -48.08 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.74 -54.84 24.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -56.78 -42.59 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 12' ' ' VAL . 97.4 t -63.21 -64.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 13' ' ' VAL . 25.5 pttt -53.75 -32.32 51.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -64.66 -57.59 8.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.3 mt -59.75 -32.77 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 8' ' ' VAL . 97.1 t -67.92 -45.7 83.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 18' ' ' VAL . 91.2 t -69.95 -31.2 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -81.26 -25.16 36.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -87.84 -54.69 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.807 HD12 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -75.15 -30.34 60.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.0 32.82 56.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.454 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.807 HG13 HD12 ' A' ' 16' ' ' LEU . 18.2 m -106.9 -177.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.76 140.11 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.47 -29.88 65.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -55.19 -26.6 40.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -83.8 -26.1 29.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.93 80.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -118.57 167.77 11.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -53.05 -32.23 45.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.56 31.36 8.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.41 ' HB3' HG23 ' A' ' 66' ' ' VAL . . . -104.67 109.68 21.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.781 0.324 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.41 ' OG ' HG22 ' A' ' 65' ' ' THR . 1.5 m -91.11 116.4 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.8 m-85 -62.73 -13.19 29.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.7 mm -84.22 -53.56 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -94.95 -60.73 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -42.87 -42.28 3.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.61 -16.42 17.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.74 34.72 59.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.4 171.54 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.076 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -108.14 176.09 5.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.711 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.7 p -52.05 -39.94 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.01 -51.88 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.4 -51.15 60.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.683 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -56.5 -47.72 78.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 37' ' ' SER . 40.4 t -54.75 -51.51 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -56.68 -52.68 63.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.665 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 11.2 mt -53.18 -50.78 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 40' ' ' THR . 88.1 t -54.23 -52.27 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 21.8 mtt -54.69 -42.94 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.62 -53.87 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.665 ' CZ ' HD22 ' A' ' 43' ' ' LEU . 19.1 m-85 -55.51 -42.23 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.751 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -66.26 -35.79 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.41 -27.47 60.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -84.39 -42.15 15.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -80.25 -24.46 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.22 48.24 7.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.751 HG23 ' HG3' ' A' ' 48' ' ' GLU . 6.4 m -119.87 163.32 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 111.092 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -123.96 111.49 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.567 HD11 ' OE2' ' A' ' 48' ' ' GLU . 9.7 pt -126.22 155.97 73.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.63 0.728 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 148.11 64.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -52.25 -39.43 60.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 62' ' ' THR . 38.6 m-20 -53.1 -28.96 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.14 -53.61 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.555 ' HA ' HG21 ' A' ' 44' ' ' VAL . . . -54.57 -26.76 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -86.0 -26.04 25.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 58' ' ' ASP . 47.8 p -81.03 -18.85 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.54 HG21 ' HB2' ' A' ' 69' ' ' ALA . 52.6 mt -85.01 109.99 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -110.51 -41.02 4.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.41 HG22 ' OG ' ' A' ' 28' ' ' SER . 82.2 p -115.23 167.24 11.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.615 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 96.5 t -53.11 -38.43 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.14 -52.02 38.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.49 -55.38 35.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' A' ' 63' ' ' ILE . . . -51.66 -47.77 63.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 66' ' ' VAL . 82.5 t -62.8 -57.04 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -34.65 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -60.44 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.3 mt -56.76 -26.98 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.607 ' HB2' HG21 ' A' ' 4' ' ' THR . 59.7 t0 -76.64 -60.19 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -57.38 -29.92 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.7 -25.31 41.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 p -58.62 -32.61 69.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.882 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m -159.73 132.83 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -98.21 -44.64 6.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.559 HG21 ' HB2' ' A' ' 74' ' ' ASP . 3.5 m -67.74 -53.43 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.73 -53.1 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -51.84 -49.71 62.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -56.07 -46.75 78.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.684 ' O ' HG23 ' A' ' 12' ' ' VAL . 97.2 t -61.01 -64.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 13' ' ' VAL . 10.2 pttp -52.65 -29.58 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -66.98 -57.76 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.32 -29.26 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 8' ' ' VAL . 98.4 t -71.02 -47.46 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 18' ' ' VAL . 95.3 t -70.39 -29.25 38.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -81.16 -25.37 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -54.75 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD21 HD21 ' A' ' 43' ' ' LEU . 4.4 mm? -74.44 -25.56 59.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 68.53 34.84 79.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.1 m -106.88 -173.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.75 142.09 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.15 -31.71 58.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -55.2 -26.73 41.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -82.97 -26.04 31.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -71.81 80.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.8 p -118.85 166.75 12.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -53.07 -29.16 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.55 29.46 11.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.96 109.54 21.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -91.04 116.61 28.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.65 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.6 m-85 -62.83 -13.13 29.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.2 mm -84.36 -53.6 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.79 -60.79 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -42.92 -42.61 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.25 -16.31 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.82 34.14 59.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.62 169.79 8.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.05 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -105.49 -179.99 4.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.679 ' O ' HG23 ' A' ' 41' ' ' VAL . 5.8 m -55.96 -33.37 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.19 -54.29 48.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.482 ' HB3' ' HB1' ' A' ' 35' ' ' ALA . 6.6 t70 -51.96 -53.36 42.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -52.88 -53.32 50.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 37' ' ' SER . 92.2 t -52.63 -44.81 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -58.99 -55.11 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.678 HD21 HD21 ' A' ' 16' ' ' LEU . 12.5 mt -54.21 -53.85 47.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.536 ' CG2' HG21 ' A' ' 63' ' ' ILE . 97.8 t -51.73 -47.89 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.4 mtp -58.66 -43.31 89.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.21 -52.49 65.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -57.6 -44.23 85.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.756 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -61.36 -40.25 93.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -71.75 -30.08 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.09 -36.88 47.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -83.95 -24.43 30.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.21 24.79 33.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.756 HG23 ' HG3' ' A' ' 48' ' ' GLU . 27.7 m -106.96 145.99 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 111.102 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -116.76 121.31 41.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 72' ' ' PHE . 11.1 pt -126.21 155.96 72.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 158.78 55.81 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.06 -25.15 61.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -69.02 -46.54 67.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.78 -34.86 71.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.054 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.51 -24.9 49.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.94 -24.45 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.0 p -77.65 -18.72 56.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.536 HG21 ' CG2' ' A' ' 44' ' ' VAL . 32.6 mm -65.91 91.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.3 mt -110.49 -58.93 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.6 p -107.07 165.67 11.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.65 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 90.6 t -51.67 -43.26 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.09 -43.74 56.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.9 -55.94 24.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.28 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.505 ' HA ' HG21 ' A' ' 8' ' ' VAL . 96.1 t -54.6 -55.51 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -52.74 -35.57 56.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.536 ' CE1' HG21 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -66.17 -59.53 3.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.2 mt -52.31 -37.2 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.559 ' HB2' HG21 ' A' ' 4' ' ' THR . 16.8 t0 -71.37 -40.03 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -25.77 62.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.31 -25.03 20.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -58.6 -27.41 64.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.782 0.325 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -99.56 142.23 31.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -104.53 -35.29 7.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.737 HG21 ' HB2' ' A' ' 74' ' ' ASP . 22.5 m -71.3 -55.3 8.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.68 -55.03 21.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -51.83 -48.13 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -56.2 -45.84 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 12' ' ' VAL . 92.9 t -61.2 -64.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.608 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.6 ptpp? -53.31 -29.59 34.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -67.08 -57.38 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.2 mt -61.12 -30.24 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 8' ' ' VAL . 99.7 t -70.47 -47.78 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 18' ' ' VAL . 87.7 t -69.67 -29.23 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -81.32 -24.94 36.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -89.64 -54.84 3.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.502 HD23 HD13 ' A' ' 33' ' ' LEU . 8.7 mp -74.34 -27.81 60.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.11 32.91 65.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.719 ' O ' HG13 ' A' ' 13' ' ' VAL . 29.1 m -106.79 -174.97 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 111.161 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.3 143.41 42.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.55 -32.45 53.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -54.98 -33.69 62.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -70.55 -24.99 62.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.1 t -73.96 75.03 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -105.51 163.67 12.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -52.25 -35.01 48.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.93 32.34 7.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.14 110.34 22.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.347 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.2 p -89.96 116.95 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.671 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 24.0 m-85 -62.66 -13.38 31.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -84.53 -53.33 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.81 -60.9 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.93 -42.83 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.502 HD13 HD23 ' A' ' 16' ' ' LEU . 21.2 mt -100.05 -16.06 18.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.43 34.62 60.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.509 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.9 170.62 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.6 177.32 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 41' ' ' VAL . 13.0 t -52.57 -29.61 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.6 tp -55.29 -58.82 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -52.81 -45.42 67.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 44' ' ' VAL . 27.7 m -57.61 -51.49 69.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 37' ' ' SER . 82.4 t -55.47 -53.18 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.44 -51.01 61.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mp -56.73 -50.6 71.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 40' ' ' THR . 87.8 t -51.58 -50.99 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.2 mmm -58.26 -46.58 85.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.55 -55.58 24.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -61.37 -35.22 76.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' HG2' HG23 ' A' ' 53' ' ' VAL . 5.4 tt0 -59.45 -50.04 75.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -74.57 -26.69 60.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -65.94 -48.12 72.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -87.8 -24.45 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.84 55.03 2.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.557 HG23 ' HG2' ' A' ' 48' ' ' GLU . 26.9 m -119.72 170.63 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 111.139 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -134.41 106.94 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.549 HG21 ' CE1' ' A' ' 72' ' ' PHE . 3.2 pt -126.21 155.8 73.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.674 0.749 . . . . 0.0 111.132 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.7 48.75 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -73.42 -24.64 60.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -70.25 -49.57 48.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -56.29 -24.97 46.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.7 65.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -73.19 -24.97 60.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -77.6 -18.84 56.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 62.1 mt -78.55 93.21 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.54 -53.99 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -89.96 156.76 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.198 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.671 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 88.7 t -51.67 -47.61 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.25 -32.96 37.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.73 -55.97 9.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -56.82 -48.78 77.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.558 HG22 HG21 ' A' ' 8' ' ' VAL . 96.3 t -60.11 -54.08 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -55.27 -34.75 64.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.549 ' CE1' HG21 ' A' ' 55' ' ' ILE . 0.2 OUTLIER -67.09 -57.04 7.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.4 mt -54.01 -39.66 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.737 ' HB2' HG21 ' A' ' 4' ' ' THR . 32.7 t0 -69.44 -41.13 76.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -63.85 -48.25 77.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.93 -25.81 61.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -58.71 -35.74 73.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.132 179.875 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -149.94 145.0 26.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -97.06 -41.85 8.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.64 HG21 ' HB2' ' A' ' 74' ' ' ASP . 32.7 m -68.12 -47.45 68.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.66 35.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -51.77 -49.73 62.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -45.16 79.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.96 HG21 HG22 ' A' ' 70' ' ' VAL . 96.0 t -61.12 -63.48 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.675 ' CB ' HG11 ' A' ' 23' ' ' VAL . 15.4 ptpt -52.89 -28.81 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -68.73 -55.29 11.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 47' ' ' PHE . 80.3 mt -64.12 -26.06 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 8' ' ' VAL . 98.1 t -75.37 -48.0 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 18' ' ' VAL . 90.8 t -70.54 -29.07 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -81.24 -24.97 36.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -90.12 -54.66 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.32 -27.24 60.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.35 33.24 68.32 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.72 ' O ' HG13 ' A' ' 13' ' ' VAL . 18.8 m -106.89 -173.53 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 111.102 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -75.35 141.48 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.43 -32.2 54.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -55.12 -32.97 62.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' O ' HG23 ' A' ' 24' ' ' THR . 48.3 mttt -68.58 -24.88 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.675 HG11 ' CB ' ' A' ' 9' ' ' LYS . 60.6 t -61.74 94.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 22' ' ' LYS . 24.7 p -124.61 151.91 44.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -52.11 -33.9 41.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.58 32.35 7.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.52 111.49 23.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -88.66 116.47 26.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.681 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 26.2 m-85 -62.41 -13.56 31.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.646 HD11 ' OG1' ' A' ' 40' ' ' THR . 47.2 mm -84.56 -53.37 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.8 -60.98 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -42.7 -42.65 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.2 mt -99.99 -16.74 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.14 37.01 60.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -99.22 172.2 7.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -107.22 176.0 5.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -52.03 -33.21 37.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.1 mt -51.98 -57.3 9.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.57 -43.07 71.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.646 ' OG1' HD11 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -54.97 -60.55 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.87 -29.67 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -68.14 -55.39 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.572 HD21 HG22 ' A' ' 12' ' ' VAL . 2.8 tp -59.61 -43.22 93.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 40' ' ' THR . 65.6 t -61.58 -50.77 78.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 29.9 mmm -55.91 -50.24 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.19 -47.14 82.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 11' ' ' ILE . 9.0 m-85 -57.08 -45.99 82.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.769 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -64.75 -35.83 82.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -75.71 -24.55 56.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -84.78 -46.81 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.43 ' CD1' HG21 ' A' ' 73' ' ' ILE . 15.7 m-85 -79.69 -24.44 41.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.96 55.65 3.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.769 HG23 ' HG3' ' A' ' 48' ' ' GLU . 18.6 m -130.2 146.93 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.332 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -108.1 119.14 38.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.2 pt -126.23 155.99 73.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.151 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 172.11 13.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -68.6 -41.5 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -56.04 -25.6 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.69 -54.72 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.82 -25.22 40.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -82.82 -26.07 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.413 ' O ' HD12 ' A' ' 64' ' ' LEU . 81.2 p -86.28 -18.81 31.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 71.0 mt -88.69 99.55 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -110.55 -54.06 2.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.3 p -97.85 164.72 12.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.681 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 76.3 t -52.79 -47.86 50.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.08 -31.81 34.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -55.96 7.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -56.72 -44.93 82.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.96 HG22 HG21 ' A' ' 8' ' ' VAL . 93.0 t -64.15 -50.38 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -59.76 -30.48 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -54.92 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.43 HG21 ' CD1' ' A' ' 51' ' ' PHE . 53.9 mt -57.81 -36.97 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.64 ' HB2' HG21 ' A' ' 4' ' ' THR . 30.5 t0 -71.58 -48.81 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.29 -25.78 67.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.67 -24.73 23.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 p -58.62 -29.32 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.737 0.303 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.505 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 3.1 p -122.86 108.28 12.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -92.75 -62.3 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.3 m -66.98 -47.41 71.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 2' ' ' SER . . . -52.21 -49.32 64.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -52.07 -45.54 64.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -62.71 -55.96 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 12' ' ' VAL . 80.3 t -51.81 -55.55 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 13' ' ' VAL . 39.2 mttt -53.74 -48.85 69.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -51.89 -53.02 45.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.44 -35.99 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 8' ' ' VAL . 95.6 t -67.93 -32.09 54.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.711 HG13 ' O ' ' A' ' 18' ' ' VAL . 66.0 t -80.9 -32.61 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.22 -24.94 37.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -90.98 -49.02 6.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.869 HD12 HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -79.11 -32.14 44.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.2 34.55 46.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.869 HG13 HD12 ' A' ' 16' ' ' LEU . 15.6 m -106.87 -178.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 111.159 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -85.92 140.29 30.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.42 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -27.96 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -88.86 -25.47 22.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -68.76 85.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.1 p -125.5 157.73 36.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -52.19 -29.63 23.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.69 30.14 7.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.14 112.39 24.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -88.25 117.22 27.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.684 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 23.5 m-85 -62.64 -13.41 31.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.3 mm -84.48 -53.53 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.84 -60.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -42.97 -42.53 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.29 -16.17 17.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.64 34.16 60.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.491 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -101.68 172.86 6.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 111.087 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -109.67 178.24 4.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 41' ' ' VAL . 58.4 p -52.09 -34.91 46.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.77 -51.66 59.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -56.2 -47.35 78.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.2 m -56.51 -47.15 79.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 37' ' ' SER . 48.6 t -59.27 -53.64 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -52.01 -49.15 63.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.744 HD22 ' CZ ' ' A' ' 47' ' ' PHE . 12.1 mt -57.09 -52.18 66.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 40' ' ' THR . 90.5 t -51.92 -47.87 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.9 mtp -59.94 -45.74 91.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.6 -55.27 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.744 ' CZ ' HD22 ' A' ' 43' ' ' LEU . 15.3 m-85 -58.61 -40.13 82.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.79 -38.64 88.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -77.44 -28.44 52.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.04 -53.02 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -79.89 -24.51 41.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.5 59.44 3.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.503 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -119.69 174.97 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 111.164 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.38 109.02 13.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 56' ' ' PRO . 2.7 pp -126.16 153.1 74.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.403 ' O ' HD12 ' A' ' 55' ' ' ILE . 53.8 Cg_endo -69.74 160.75 48.56 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.272 . . . . 0.0 112.374 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -72.48 -26.25 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.45 -26.19 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.539 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -51.77 -35.64 44.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.57 -28.16 44.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -89.0 -26.12 21.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.4 p -77.55 -18.8 56.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 69' ' ' ALA . 78.2 mt -92.51 108.51 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.87 -58.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.0 p -100.09 164.53 11.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.684 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 58.1 t -51.61 -41.33 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.31 52.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -67.93 -55.86 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.501 ' HB2' HG21 ' A' ' 63' ' ' ILE . . . -52.87 -51.74 59.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.43 -52.99 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -56.44 -30.0 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -72.12 -52.09 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.6 mt -59.33 -36.64 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -71.78 -51.07 24.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -60.16 -31.39 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.75 -26.52 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 t -58.93 -45.71 89.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mtt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.804 0.335 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -76.99 112.29 13.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -92.9 -41.84 9.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.567 HG21 ' HB2' ' A' ' 74' ' ' ASP . 8.7 m -73.99 -43.26 58.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.57 -52.9 60.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.9 -44.43 74.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -59.0 -56.51 21.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.698 ' O ' HG23 ' A' ' 12' ' ' VAL . 92.1 t -51.73 -56.6 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.2 mtpm? -51.83 -44.56 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.53 -54.61 43.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.3 -30.56 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 8' ' ' VAL . 96.9 t -75.04 -34.22 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.748 HG13 ' O ' ' A' ' 18' ' ' VAL . 91.0 t -75.46 -35.07 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -81.18 -26.14 36.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -88.77 -54.31 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.892 HD12 HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -74.39 -34.61 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.9 25.62 52.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.892 HG13 HD12 ' A' ' 16' ' ' LEU . 13.0 m -106.96 179.39 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 0.0 111.137 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -75.51 145.74 41.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -76.5 -36.45 57.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -53.78 -38.76 64.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -68.13 -25.89 65.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.86 86.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.8 p -113.51 164.73 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -53.6 -32.91 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -96.55 32.31 6.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.439 ' HB3' HG23 ' A' ' 66' ' ' VAL . . . -104.77 109.72 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.553 ' OG ' HG22 ' A' ' 65' ' ' THR . 71.0 m -90.93 116.3 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.648 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 26.2 m-85 -62.53 -13.33 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -84.38 -53.52 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.75 -60.82 1.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -42.66 -42.48 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.3 mt -100.28 -16.76 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.56 35.92 59.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -98.56 -173.98 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 111.09 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -123.0 175.97 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.6 t -51.9 -36.44 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 mt -52.75 -50.32 63.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -51.36 67.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 44' ' ' VAL . 6.6 m -53.15 -50.23 64.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 37' ' ' SER . 94.6 t -56.07 -51.79 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -52.18 -52.42 52.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -54.53 -51.53 64.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.718 HG12 ' OE2' ' A' ' 48' ' ' GLU . 97.1 t -51.71 -50.12 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.4 mtp -56.93 -49.08 76.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.68 -48.71 69.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -61.24 -41.69 97.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.718 ' OE2' HG12 ' A' ' 44' ' ' VAL . 35.0 mt-10 -61.25 -40.14 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -77.77 -26.14 49.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.78 -54.68 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -79.79 -24.45 41.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.41 20.93 46.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.0 m -93.13 142.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -112.81 115.75 28.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.411 HD11 ' CG1' ' A' ' 44' ' ' VAL . 10.5 pt -126.2 156.0 72.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.61 0.719 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 169.09 19.64 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -68.11 -33.86 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -55.15 -26.58 39.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -55.28 -30.36 59.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.47 -25.57 63.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.58 5.71 38.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 p -116.8 -18.79 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.557 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 78.5 mt -93.56 103.79 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 mt -110.49 -42.83 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.553 HG22 ' OG ' ' A' ' 28' ' ' SER . 65.1 p -116.06 168.49 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.648 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 89.4 t -51.64 -47.51 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.14 -40.72 52.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -62.96 -55.93 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -56.78 -53.24 60.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.572 HG22 ' CB ' ' A' ' 8' ' ' VAL . 85.1 t -56.54 -53.15 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -56.19 -34.49 66.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -66.47 -54.16 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 51.9 mt -58.27 -37.16 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.567 ' HB2' HG21 ' A' ' 4' ' ' THR . 9.4 t70 -71.62 -39.74 70.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -69.26 -37.55 77.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.48 -25.19 38.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -63.27 -43.04 99.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.099 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -128.46 151.87 48.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -94.43 -45.27 7.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.3 m -71.82 -44.9 63.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.74 -50.19 61.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.07 -47.85 64.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -59.31 -56.1 26.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 12' ' ' VAL . 88.6 t -51.88 -54.34 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.1 mtpm? -51.86 -51.84 53.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -52.27 -58.66 5.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.4 mt -51.88 -39.29 24.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 8' ' ' VAL . 95.8 t -68.19 -37.55 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 9' ' ' LYS . 88.6 t -66.97 -39.46 83.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -81.23 -26.19 36.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.14 -59.51 2.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.401 HD23 HG13 ' A' ' 12' ' ' VAL . 4.5 mm? -74.3 -34.62 63.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.63 29.3 29.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.6 m -107.03 177.1 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.106 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.6 151.66 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.64 -33.94 58.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -55.31 -29.77 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -80.48 -25.72 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.1 t -66.93 88.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.5 p -119.95 153.53 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.11 -29.87 23.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.51 31.34 7.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.09 111.8 24.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.808 0.337 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 65' ' ' THR . 86.0 p -87.3 115.88 25.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.699 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 30.9 m-85 -62.26 -13.77 31.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mm -84.79 -53.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.194 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.58 -61.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.59 -43.02 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.8 mt -99.55 -17.08 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.64 31.6 58.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -99.18 174.21 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -112.86 -178.75 3.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 41' ' ' VAL . 46.3 t -51.36 -32.45 25.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.13 -51.96 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -55.08 -50.25 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.726 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.6 m -53.75 -51.09 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 37' ' ' SER . 95.8 t -55.81 -49.76 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -53.55 -52.28 60.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.8 -50.51 68.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 40' ' ' THR . 44.6 t -53.0 -49.54 48.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.8 mmt -56.69 -50.86 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.11 -48.5 67.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CZ ' HG13 ' A' ' 8' ' ' VAL . 35.1 m-85 -63.67 -34.66 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.714 ' OE2' HG23 ' A' ' 53' ' ' VAL . 11.5 mm-40 -65.42 -42.22 92.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -78.44 -25.85 46.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -78.31 -55.75 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -79.72 -24.54 41.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.33 40.88 18.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.714 HG23 ' OE2' ' A' ' 48' ' ' GLU . 15.6 m -110.33 159.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -118.48 120.19 36.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 56' ' ' PRO . 2.7 pp -126.31 153.07 74.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.691 ' HG2' ' HB2' ' A' ' 59' ' ' ALA . 54.5 Cg_endo -69.74 161.42 46.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 0.0 112.379 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.6 -27.5 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.05 -26.23 61.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.753 ' HB1' ' CE2' ' A' ' 72' ' ' PHE . . . -55.36 -27.68 48.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.97 -24.48 53.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.66 -25.98 35.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.1 p -77.58 -18.78 56.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.6 mt -84.12 111.92 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 mt -110.5 -59.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 28' ' ' SER . 36.9 p -119.06 178.84 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.699 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 61.9 t -51.74 -42.68 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.29 -38.33 49.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.7 -56.04 10.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.3 -51.6 64.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.408 ' HA ' HG21 ' A' ' 8' ' ' VAL . 93.7 t -58.68 -55.15 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -54.44 -31.7 55.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.753 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -69.51 -57.38 5.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.429 HD11 ' CG ' ' A' ' 47' ' ' PHE . 51.6 mt -55.32 -36.48 40.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.56 -42.43 64.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -63.62 -39.3 94.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.53 -27.54 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 t -58.8 -30.26 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 5' ' ' ALA . 5.7 m -90.26 146.36 24.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -104.17 -46.25 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.632 ' O ' HG23 ' A' ' 8' ' ' VAL . 19.5 m -79.53 -38.73 33.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 2' ' ' SER . . . -51.86 -54.57 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -52.05 -53.91 36.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.4 ' NH1' HD11 ' A' ' 11' ' ' ILE . 1.7 tpm_? -53.29 -52.04 60.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 12' ' ' VAL . 94.6 t -51.88 -63.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.65 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.7 mttm -51.86 -33.16 35.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -62.23 -58.9 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.663 HD12 ' CE1' ' A' ' 47' ' ' PHE . 77.4 mt -60.79 -30.43 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 8' ' ' VAL . 95.5 t -69.54 -41.64 80.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 18' ' ' VAL . 97.0 t -74.82 -31.04 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -81.3 -24.94 36.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -86.77 -56.78 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.3 mm? -74.34 -26.84 60.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.81 34.98 62.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.702 ' O ' HG13 ' A' ' 13' ' ' VAL . 18.5 m -106.86 -173.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -84.45 146.52 27.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.41 -27.19 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.5 -26.76 67.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -82.82 -25.74 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 t -68.48 88.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.0 p -114.94 159.41 20.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -51.83 -41.95 62.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.23 32.36 6.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.439 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' HB3' HG23 ' A' ' 66' ' ' VAL . . . -97.77 110.17 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -86.35 116.47 24.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.664 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 36.3 m-85 -62.18 -13.76 30.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.654 HD11 ' OG1' ' A' ' 40' ' ' THR . 46.8 mm -84.83 -53.32 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -94.46 -61.34 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.56 -41.88 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' HA ' ' A' ' 29' ' ' PHE . 21.4 mt -100.13 -21.16 15.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.71 21.57 61.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -88.04 169.92 11.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.15 -176.48 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.8 m -51.76 -30.51 23.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.0 mt -52.06 -49.84 62.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -64.09 -36.44 84.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.655 ' O ' HG23 ' A' ' 44' ' ' VAL . 7.1 m -60.48 -60.86 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.3 t -63.12 -36.25 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.3 -48.81 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tp -62.69 -46.63 87.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 40' ' ' THR . 91.4 t -58.5 -45.92 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.7 mtp -61.48 -48.15 82.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.38 -54.1 47.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.663 ' CE1' HD12 ' A' ' 11' ' ' ILE . 18.6 m-85 -57.1 -44.3 83.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.05 -39.86 83.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.14 -26.65 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -75.76 -51.61 12.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -79.77 -24.46 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.95 53.38 5.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.6 m -117.51 179.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -134.41 113.04 11.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.414 HD11 ' CG1' ' A' ' 44' ' ' VAL . 11.2 pt -126.24 155.96 73.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.729 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 171.69 14.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -73.31 -33.24 65.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.557 ' O ' HG23 ' A' ' 62' ' ' THR . 75.9 m-20 -59.28 -25.15 63.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.69 -50.35 60.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.64 -26.47 33.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -86.18 -26.13 25.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 58' ' ' ASP . 20.5 p -87.5 -18.94 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.506 ' CG2' ' HB2' ' A' ' 69' ' ' ALA . 68.5 mt -92.32 98.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.74 -55.47 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 p -93.54 171.34 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.664 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 85.7 t -60.61 -48.5 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.33 -31.72 35.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -69.15 -56.08 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.506 ' HB2' ' CG2' ' A' ' 63' ' ' ILE . . . -58.07 -39.44 78.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.664 HG22 HG11 ' A' ' 8' ' ' VAL . 97.0 t -65.57 -54.73 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -57.6 -33.5 68.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -58.29 4.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.9 mt -55.56 -36.71 42.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB2' HG21 ' A' ' 4' ' ' THR . 24.8 t0 -70.85 -42.15 70.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.812 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -62.37 -44.34 96.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.89 -25.22 48.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -58.67 -27.56 64.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.89 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.597 ' HB3' ' HB3' ' A' ' 5' ' ' ALA . 5.8 m -120.67 119.15 32.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -96.75 -60.34 1.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.5 m -65.91 -48.47 71.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 2' ' ' SER . . . -51.77 -53.36 40.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -51.95 -42.68 63.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -61.83 -50.27 72.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 12' ' ' VAL . 63.8 t -57.42 -60.07 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.675 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.5 mtmt -51.88 -42.35 62.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -57.05 -58.71 7.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.3 mt -56.41 -33.76 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 8' ' ' VAL . 97.8 t -69.75 -42.3 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 18' ' ' VAL . 91.9 t -67.92 -35.26 71.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -81.18 -25.87 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -83.42 -57.66 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.41 -30.93 62.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.45 33.79 38.01 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.712 ' O ' HG13 ' A' ' 13' ' ' VAL . 19.7 m -106.93 -178.42 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -83.29 145.3 29.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.07 -32.25 63.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -54.73 -27.11 38.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -86.66 -26.51 24.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -64.61 92.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.7 p -124.1 154.23 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.89 -29.87 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.45 31.29 6.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.438 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.05 112.7 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.473 ' OG ' HG22 ' A' ' 65' ' ' THR . 58.9 m -87.78 116.91 26.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.682 ' CZ ' HG22 ' A' ' 66' ' ' VAL . 25.0 m-85 -62.59 -13.41 31.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.643 HD11 ' OG1' ' A' ' 40' ' ' THR . 48.0 mm -84.4 -53.65 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.97 -60.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -42.79 -42.05 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -100.69 -16.71 17.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.45 36.14 59.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 29' ' ' PHE . . . -100.39 172.89 6.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -108.19 176.76 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.9 m -52.07 -32.87 36.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.7 tp -52.01 -55.66 19.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -58.61 -36.53 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.643 ' OG1' HD11 ' A' ' 30' ' ' ILE . 1.3 m -59.06 -60.54 3.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.1 t -61.45 -32.42 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -66.5 -55.51 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.501 HD22 ' HZ ' ' A' ' 47' ' ' PHE . 11.7 mt -58.98 -52.71 64.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 40' ' ' THR . 57.5 t -54.43 -53.18 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.2 mmt -55.98 -40.15 72.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.23 -54.47 45.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.501 ' HZ ' HD22 ' A' ' 43' ' ' LEU . 13.1 m-85 -56.54 -44.29 80.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.728 ' HG3' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -59.42 -45.24 92.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.844 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -70.07 -27.0 64.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.36 -38.47 41.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -83.55 -24.44 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.52 31.98 8.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.728 HG23 ' HG3' ' A' ' 48' ' ' GLU . 26.8 m -118.62 159.3 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -125.33 131.07 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.528 HD12 ' O ' ' A' ' 56' ' ' PRO . 2.2 pp -126.2 153.22 74.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.646 0.736 . . . . 0.0 111.196 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.528 ' O ' HD12 ' A' ' 55' ' ' ILE . 54.2 Cg_endo -69.71 164.54 34.12 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.59 -33.97 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.36 -33.61 74.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.619 ' HB1' ' CZ ' ' A' ' 72' ' ' PHE . . . -58.31 -27.09 63.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.9 -25.09 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -81.78 -26.18 34.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.2 p -77.68 -18.78 56.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.6 mt -90.72 100.27 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mt -110.5 -58.79 2.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.473 HG22 ' OG ' ' A' ' 28' ' ' SER . 43.4 p -94.5 164.0 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.682 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 57.5 t -51.62 -43.95 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -52.57 -36.01 46.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -69.1 -55.94 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.79 -47.74 73.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 66' ' ' VAL . 95.6 t -61.97 -54.74 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -54.1 -32.87 56.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.619 ' CZ ' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -70.09 -57.56 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.576 HD13 HG22 ' A' ' 8' ' ' VAL . 17.5 mt -55.47 -34.65 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -77.51 -36.2 52.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.843 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -63.35 -44.98 93.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.55 5.85 37.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -63.88 -32.53 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.872 . . . . . . . . 0 0 . 1 stop_ save_