data_5ub0_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 5ub0 _Structure_validation_residue.Date_analyzed 2017-08-18 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 ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 74.45 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -86.8 131.93 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 55.41 111.144 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -109.29 162.73 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.21 130.66 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 70.05 110.897 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 tp -99.78 136.22 40.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.893 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.7 mm -123.02 105.08 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.22 111.182 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mt -99.87 89.92 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 72.24 111.09 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -72.48 80.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.906 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.26 119.99 6.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 64.31 112.474 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -27.94 69.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.37 . . . . 75.23 110.876 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -101.22 -31.96 10.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.21 111.17 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.8 tp -153.13 110.78 3.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.965 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -100.78 156.35 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.922 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.71 -177.7 38.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 73.2 112.498 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -163.4 151.49 13.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.397 . . . . 73.45 110.861 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 t -156.57 151.93 26.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 65.3 111.162 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.1 p -124.02 148.34 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 54.32 111.11 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -148.1 138.13 22.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 65.35 111.131 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -72.28 129.01 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 73.5 110.883 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.15 168.23 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 74.44 111.078 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -102.46 -28.03 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.12 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -137.54 159.65 41.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 64.45 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.59 -25.92 54.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.53 111.088 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 -30.55 31.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 61.03 111.09 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.6 m -67.49 -44.03 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 71.03 111.139 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.74 -44.34 42.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.33 111.121 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -53.52 -29.03 34.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.869 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -60.72 -42.39 97.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 75.4 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -85.17 -38.1 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 74.14 111.092 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.78 -49.08 76.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.915 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -57.54 -31.69 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.03 110.881 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -75.97 -35.22 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 72.23 110.905 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -63.44 -44.17 95.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.915 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.7 -50.73 33.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 74.25 111.074 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -54.3 -37.81 65.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 53.13 110.925 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.21 -26.42 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 74.51 110.905 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -99.97 22.01 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.45 110.886 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.22 39.65 94.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 60.4 112.493 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 75.6 mt -103.39 127.82 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.329 . . . . 75.24 111.109 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.46 130.6 10.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 75.15 110.873 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.73 -149.3 7.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 54.42 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -74.57 102.33 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 71.41 110.876 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -88.59 116.42 26.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.487 . . . . 73.03 110.906 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -114.58 160.6 19.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 75.5 111.124 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -147.36 137.1 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.87 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.63 132.1 56.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 72.22 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -89.84 -28.02 19.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.78 -54.88 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 61.22 111.075 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.7 p -84.81 -15.56 44.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.104 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 58.31 46.35 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 73.51 110.933 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.9 m -133.0 143.79 49.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 74.11 111.163 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -106.11 135.33 47.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.895 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -134.49 130.46 36.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.55 111.118 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.27 111.16 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.093 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 m -86.51 100.07 12.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.03 111.122 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.91 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.4 mtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.869 0.366 . . . . 74.45 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 m -79.43 129.84 34.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 55.41 111.148 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -122.08 151.98 40.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.827 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -119.09 149.48 41.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 70.05 110.927 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.9 tp -118.25 135.69 54.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 72.33 110.915 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.4 mm -121.46 104.98 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 64.22 111.133 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.5 mt -98.63 89.94 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 72.24 111.161 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -73.07 78.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 72.24 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.95 114.13 4.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 64.31 112.461 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -59.46 -30.99 68.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 75.23 110.933 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -96.5 -29.11 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 73.21 111.133 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tt -154.46 107.48 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.898 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -101.99 154.61 18.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.913 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.09 167.18 39.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 73.2 112.478 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -149.19 156.48 42.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 73.45 110.867 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -160.75 156.1 24.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 65.3 111.16 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.4 p -126.16 153.07 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 54.32 111.153 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -150.42 136.55 18.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 65.35 111.126 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.49 120.18 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.5 110.948 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.5 177.68 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.44 111.068 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.7 m -101.17 -25.38 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 72.12 111.146 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -140.67 155.03 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 64.45 110.848 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.42 -31.78 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 74.53 111.138 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.32 -32.07 43.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.03 111.196 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.6 m -61.57 -42.68 99.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 71.03 111.086 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 -37.94 58.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 75.33 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.07 -34.84 70.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 75.42 110.87 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -57.67 -38.46 75.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 75.4 110.879 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.96 -43.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.14 111.108 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.4 mt -56.63 -46.2 81.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.947 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -61.18 -26.22 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 71.03 110.914 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -81.22 -37.64 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 72.23 110.775 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -57.28 -41.78 80.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.988 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.49 -45.45 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 74.25 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -54.74 -38.12 66.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 53.13 110.905 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.35 -26.16 64.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.899 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -99.03 22.02 10.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.45 110.882 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.17 39.97 95.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.677 -0.773 . . . . 60.4 112.504 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.6 mt -102.83 130.86 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.412 . . . . 75.24 111.062 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -157.25 129.64 7.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 75.15 110.872 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.3 -147.02 5.72 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.799 -0.715 . . . . 54.42 112.542 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -84.38 91.65 7.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 71.41 110.904 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -76.46 118.77 19.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.489 . . . . 73.03 110.941 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.64 162.99 15.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 75.5 111.187 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -150.13 147.6 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 75.43 111.004 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -124.81 135.94 53.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.797 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -90.23 -25.54 20.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.15 110.827 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.3 -50.85 11.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 61.22 111.132 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -86.69 -17.16 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 74.11 111.18 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp 58.28 42.6 21.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 73.51 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.8 m -128.75 144.34 51.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.11 111.082 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.69 132.77 50.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.89 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 m -137.8 119.38 14.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 71.55 111.204 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.8 p -110.44 122.95 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 74.4 111.174 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -92.91 113.57 25.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 74.03 111.178 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 73.22 110.908 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tpt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.856 0.36 . . . . 74.45 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -99.5 112.93 25.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 55.41 111.196 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -108.16 148.72 29.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 73.33 110.816 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -118.2 143.63 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 70.05 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.3 tp -111.59 135.24 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 72.33 110.895 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.6 mm -121.61 105.03 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 64.22 111.132 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.8 mt -99.15 89.9 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.432 . . . . 72.24 111.116 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -72.42 79.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 72.24 110.938 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.62 125.97 8.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 64.31 112.517 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -66.91 -31.44 72.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 75.23 110.941 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.4 p -94.0 -33.02 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.21 111.142 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -154.38 119.11 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 75.51 110.972 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -105.59 151.64 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 74.31 110.914 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.98 -179.48 40.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 73.2 112.493 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.89 159.11 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 73.45 110.886 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -162.05 154.87 20.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 65.3 111.194 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.2 p -124.05 158.83 31.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 54.32 111.133 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 t -158.26 129.37 6.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 65.35 111.163 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.44 121.29 17.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 73.5 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.07 177.25 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 74.44 111.123 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -107.52 -26.86 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 72.12 111.152 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -138.24 163.68 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 64.45 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.27 65.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.149 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.03 24.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 61.03 111.16 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.8 m -53.99 -47.72 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 71.03 111.132 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.32 -46.33 50.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.33 111.093 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -53.14 -30.29 36.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 75.42 110.913 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -60.32 -38.56 84.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 75.4 110.929 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.41 -39.64 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 74.14 111.133 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.02 -51.26 67.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 71.11 110.86 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -53.58 -28.37 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.03 110.869 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.83 -41.12 21.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 72.23 110.904 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -52.06 -55.12 22.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 71.22 111.052 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.69 78.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 74.25 111.099 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -52.06 -50.84 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 53.13 110.887 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.92 -40.09 75.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.854 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -72.09 -17.41 61.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 73.45 110.822 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.33 25.38 9.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 60.4 112.583 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.38 121.49 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 75.24 111.173 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.59 125.02 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 75.15 110.847 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.86 -133.43 1.48 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 54.42 112.495 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.33 100.64 3.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.795 0.331 . . . . 71.41 110.909 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -88.28 122.38 31.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 73.03 110.873 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -117.26 162.15 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 75.5 111.115 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -147.46 134.8 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.902 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.02 131.39 55.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 72.22 110.884 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -90.03 -25.48 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.15 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.63 -42.0 18.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 61.22 111.181 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -93.4 -17.57 23.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 74.11 111.094 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp 58.3 40.09 24.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 73.51 110.938 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.5 m -129.56 144.39 51.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 74.11 111.143 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -108.02 134.27 51.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.841 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.7 m -131.34 130.71 43.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 71.55 111.128 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.86 112.88 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.4 111.189 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.7 m -90.34 108.35 19.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.03 111.065 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.954 179.917 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mtm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.91 0.386 . . . . 74.45 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.4 m -92.02 138.85 31.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 55.41 111.131 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -113.4 157.38 21.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 73.33 110.857 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -131.97 141.43 49.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 70.05 110.837 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tt -113.08 139.08 49.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.928 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mm -120.29 104.56 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 64.22 111.118 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.7 mt -95.88 89.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 72.24 111.148 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -74.0 75.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.14 118.03 6.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 64.31 112.457 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -27.3 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 75.23 110.93 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -86.41 -45.14 11.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 73.21 111.125 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.35 112.72 3.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.939 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -84.76 153.83 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 74.31 110.931 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.7 163.02 36.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.668 -0.777 . . . . 73.2 112.47 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -144.52 167.67 21.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.994 0.426 . . . . 73.45 110.865 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -158.81 167.22 30.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 65.3 111.114 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -143.3 160.34 40.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 54.32 111.143 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -164.13 140.84 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 65.35 111.161 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -78.5 127.23 31.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 73.5 110.864 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.62 175.26 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.44 111.132 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 m -109.99 -27.91 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 72.12 111.096 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -134.35 169.35 17.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 64.45 110.835 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.14 79.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.53 111.078 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.48 -27.48 56.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 61.03 111.152 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.9 m -65.15 -49.83 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.087 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.18 -36.79 61.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 75.33 111.096 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.04 -35.29 46.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.911 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -36.19 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 75.4 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.02 -48.89 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.14 111.051 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mp -53.71 -41.29 66.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 71.11 110.804 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -68.52 -28.4 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.409 . . . . 71.03 110.899 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -81.48 -30.85 33.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.924 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -63.77 -45.06 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 71.22 110.914 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.69 -47.69 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 74.25 111.096 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -56.59 -42.33 78.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 53.13 110.879 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -53.64 -33.16 54.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.914 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.07 -18.21 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 73.45 110.942 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.96 31.12 7.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.792 -0.718 . . . . 60.4 112.486 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.6 mt -87.08 132.32 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.327 . . . . 75.24 111.133 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -151.35 129.7 12.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 75.15 110.882 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.34 -149.94 8.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 54.42 112.438 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -80.1 93.81 5.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.906 0.384 . . . . 71.41 110.993 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -79.38 125.75 29.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 73.03 110.898 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -128.39 130.45 47.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 75.5 111.141 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -120.7 138.24 54.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.948 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.06 134.69 54.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.866 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -90.11 -25.84 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 74.15 110.785 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.58 -53.56 8.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 61.22 111.131 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.8 p -85.72 -16.16 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 74.11 111.162 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt 58.31 45.36 17.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 73.51 110.88 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -134.48 143.83 47.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 74.11 111.182 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -101.97 152.57 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.912 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.7 m -156.96 109.05 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 71.55 111.156 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -99.52 123.04 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 74.4 111.111 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -91.27 109.41 20.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 74.03 111.1 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 73.22 110.893 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.936 0.398 . . . . 74.45 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 m -81.08 120.52 24.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 55.41 111.112 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -114.01 150.45 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.853 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -121.67 146.3 47.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 70.05 110.959 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tt -116.36 130.23 56.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 72.33 110.932 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mm -113.32 104.26 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 64.22 111.17 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mt -94.96 89.94 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.153 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -73.82 75.92 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 72.24 110.886 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.78 116.53 5.33 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.83 -0.7 . . . . 64.31 112.554 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -25.94 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.349 . . . . 75.23 110.866 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -111.92 -32.61 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 73.21 111.071 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 tp -133.02 94.38 3.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 75.51 110.97 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -102.98 154.75 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.943 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.33 177.45 41.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 73.2 112.499 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -145.83 162.19 38.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.967 0.413 . . . . 73.45 110.817 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 t -158.28 156.97 31.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 65.3 111.156 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 p -136.38 155.1 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 54.32 111.213 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -155.63 121.76 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 65.35 111.126 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 116.24 12.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.5 110.893 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.58 175.0 9.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.529 . . . . 74.44 111.065 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.4 m -89.97 -30.6 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 72.12 111.109 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -141.15 174.12 10.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 64.45 110.784 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.77 -26.22 66.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 74.53 111.099 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.46 -28.49 31.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.412 . . . . 61.03 111.048 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -69.71 -41.94 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 71.03 111.162 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.5 -39.68 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 75.33 111.052 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -52.06 -38.25 56.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.881 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -52.96 -41.42 64.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 75.4 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.78 -39.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 74.14 111.089 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.7 mt -56.3 -46.37 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 71.11 110.974 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -64.67 -32.48 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 71.03 110.866 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -73.74 -30.14 62.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 72.23 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -67.01 -46.82 73.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.923 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.05 -52.87 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.092 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -53.72 -37.24 63.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 53.13 110.872 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.63 -26.3 63.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 74.51 110.787 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -98.31 22.0 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 73.45 110.895 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.99 20.32 53.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 60.4 112.469 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.8 mt -78.17 131.95 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 75.24 111.17 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -143.14 127.05 17.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 75.15 110.816 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.57 -158.0 20.3 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.734 -0.745 . . . . 54.42 112.49 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -90.31 126.66 35.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 71.41 110.927 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -96.11 129.23 43.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.128 -0.487 . . . . 73.03 110.845 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.9 p -122.81 131.03 53.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 75.5 111.171 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -117.51 134.55 54.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.918 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -116.12 129.83 56.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 72.22 110.921 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.11 -24.24 21.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.821 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.73 -29.3 62.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 61.22 111.079 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 p -116.06 -13.09 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 74.11 111.169 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt 58.35 44.45 18.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 73.51 110.936 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.8 m -137.05 149.49 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.233 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -105.95 153.35 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 74.44 110.836 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.8 m -146.38 109.02 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.55 111.193 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.06 107.79 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.4 111.139 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.5 m -88.74 103.73 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 74.03 111.205 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.823 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.916 0.389 . . . . 74.45 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -80.15 133.53 36.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 55.41 111.155 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -117.05 156.87 26.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 73.33 110.862 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -123.09 146.76 47.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 70.05 110.919 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.2 tp -116.08 136.08 53.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.933 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.5 mm -121.33 105.75 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 64.22 111.122 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mt -96.16 89.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 72.24 111.146 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -74.87 74.97 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.07 131.46 10.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 64.31 112.546 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -56.68 -24.9 52.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.818 0.342 . . . . 75.23 110.841 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -126.22 -37.23 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 73.21 111.161 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.34 96.78 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.51 110.912 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.96 139.26 49.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.915 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.28 -156.8 14.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 73.2 112.497 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -169.57 156.03 6.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.881 0.372 . . . . 73.45 110.858 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 t -155.78 150.74 26.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 65.3 111.083 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.8 p -120.59 157.7 28.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 54.32 111.143 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -155.54 127.94 7.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 65.35 111.123 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -71.44 124.14 23.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 73.5 110.885 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.79 -178.9 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 74.44 111.056 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.0 m -109.2 -28.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 72.12 111.058 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -139.06 170.47 15.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.252 -0.431 . . . . 64.45 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.53 -33.82 75.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 74.53 111.109 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.7 -26.47 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 61.03 111.057 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 m -68.93 -47.13 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 71.03 111.146 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.47 -44.45 57.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.33 111.047 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -53.84 -33.24 55.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.96 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -58.24 -40.84 82.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 75.4 110.927 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.28 -44.26 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.159 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.1 mt -56.66 -47.42 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 71.11 110.899 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -63.21 -30.27 71.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.03 110.899 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -74.9 -31.47 61.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.915 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -67.93 -41.6 82.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 71.22 110.913 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.28 -44.87 43.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 74.25 111.08 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -55.02 -41.7 71.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 53.13 110.824 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.61 -27.93 52.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.912 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -90.52 -18.16 25.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 73.45 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.96 30.73 6.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 60.4 112.499 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.4 mt -89.62 133.36 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 75.24 111.178 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -157.31 128.45 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.15 110.868 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.83 -137.07 2.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 54.42 112.464 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -90.63 96.0 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 71.41 110.952 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -84.03 116.4 22.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.962 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 p -110.53 174.3 5.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 75.5 111.194 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -158.18 144.42 17.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.909 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.36 131.98 56.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 72.22 110.869 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -90.09 -25.42 20.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 74.15 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.02 -43.01 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 61.22 111.103 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -92.07 -17.9 24.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.11 111.128 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 58.35 41.56 22.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 73.51 110.923 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.9 m -128.33 144.33 51.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.414 . . . . 74.11 111.11 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -103.42 145.08 30.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.817 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.8 m -148.33 127.61 13.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 71.55 111.155 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.56 124.57 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 74.4 111.151 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -98.04 111.77 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.03 111.114 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.894 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.899 0.38 . . . . 74.45 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m -102.87 144.89 30.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 55.41 111.09 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -128.55 157.66 40.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.876 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -129.95 144.49 51.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 70.05 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tt -115.14 131.03 57.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.941 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.3 mm -112.4 104.4 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 64.22 111.138 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.7 mt -94.13 90.01 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 72.24 111.179 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -74.3 75.69 1.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 72.24 110.917 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.03 131.3 10.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 64.31 112.453 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -26.07 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 75.23 110.946 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 t -104.49 -26.58 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 73.21 111.107 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tt -153.55 113.34 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.51 110.871 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -109.53 153.7 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.883 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.59 -173.2 39.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 73.2 112.439 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -154.75 162.37 41.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 73.45 110.911 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -157.34 165.46 35.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 65.3 111.15 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 p -143.07 160.15 40.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 54.32 111.129 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 t -166.13 125.55 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 65.35 111.185 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -70.28 129.08 38.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.827 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.78 170.79 15.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.17 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.7 m -91.02 -31.13 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 72.12 111.122 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -141.83 162.17 36.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 64.45 110.946 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.25 68.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.259 -0.428 . . . . 74.53 111.052 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.18 63.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 61.03 111.189 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 m -69.65 -45.94 67.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 71.03 111.151 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.99 -41.78 34.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.127 -0.488 . . . . 75.33 111.151 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -52.07 -30.64 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.851 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -62.93 -45.43 92.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 75.4 110.967 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.9 t -80.41 -33.8 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.17 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.69 -55.89 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 71.11 110.896 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -53.44 -31.08 43.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.92 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -74.63 -38.99 62.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 72.23 110.938 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.11 -52.57 50.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 71.22 110.908 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.89 80.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 74.25 111.123 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -51.91 -54.09 33.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 53.13 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -55.82 -35.85 66.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 74.51 110.87 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.415 HD21 ' N ' ' A' ' 37' ' ' ASN . 1.5 m-80 -75.72 -17.59 59.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 73.45 110.89 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.49 24.63 9.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 60.4 112.47 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.36 116.51 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 75.24 111.12 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.59 124.92 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 75.15 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.76 -128.05 0.99 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.781 -0.723 . . . . 54.42 112.527 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -71.48 92.82 1.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.796 0.331 . . . . 71.41 110.862 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -87.74 126.52 35.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.03 110.962 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -128.42 131.67 48.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 75.5 111.198 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -118.41 145.87 44.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.411 . . . . 75.43 110.899 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.29 132.37 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 72.22 110.814 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.12 -25.45 20.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.87 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.66 -39.86 21.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 61.22 111.053 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.7 p -95.77 -17.35 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 74.11 111.157 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 58.32 41.4 23.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 73.51 110.961 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -133.42 142.29 48.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.089 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -98.53 153.38 18.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.5 m -154.91 109.02 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.125 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 p -98.72 131.18 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 74.4 111.145 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -105.95 114.26 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 74.03 111.132 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.83 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 mtm . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.895 0.379 . . . . 74.45 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 m -78.05 133.19 37.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 55.41 111.185 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -127.66 151.69 48.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.928 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -118.93 144.82 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 70.05 110.863 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 tp -112.96 135.65 53.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.942 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 mm -122.28 109.37 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 64.22 111.149 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.0 mt -102.28 89.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 72.24 111.148 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -71.44 81.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.87 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.63 127.69 8.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.897 -0.668 . . . . 64.31 112.466 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.88 -26.73 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 75.23 110.912 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.4 t -102.33 -26.6 13.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.245 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.36 112.82 3.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.95 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -108.58 155.23 20.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.867 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.58 -171.32 40.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 73.2 112.529 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -165.53 159.3 16.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 73.45 110.796 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 t -157.17 157.59 34.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 65.3 111.07 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.4 p -131.03 145.85 52.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 54.32 111.119 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -145.16 119.5 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 65.35 111.157 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -74.08 108.01 6.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.3 174.71 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.44 111.006 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 m -85.44 -25.67 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 72.12 111.138 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -149.87 162.53 40.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.45 110.839 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.65 -37.5 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 74.53 111.071 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -36.27 74.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 61.03 111.127 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.4 m -68.8 -37.0 78.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 71.03 111.198 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.62 -45.16 17.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.33 111.138 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.33 -33.61 54.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 75.42 110.92 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -51.94 -36.59 49.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 75.4 110.96 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.13 -33.85 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.14 111.151 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.5 mt -60.33 -51.97 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.971 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -54.52 -32.13 57.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 71.03 110.951 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -74.97 -36.36 62.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.23 110.931 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -56.23 -50.26 71.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 71.22 110.949 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.88 37.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 74.25 111.033 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -51.94 -51.69 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 53.13 110.893 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.61 -30.06 60.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.983 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.404 HD21 ' N ' ' A' ' 37' ' ' ASN . 1.5 m-80 -86.88 -17.78 32.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.001 -0.545 . . . . 73.45 110.875 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.28 27.11 8.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.854 -0.689 . . . . 60.4 112.555 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.6 mp -118.33 122.5 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.337 . . . . 75.24 111.153 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -157.41 127.26 6.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 75.15 110.904 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -168.34 -132.6 1.44 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.733 -0.746 . . . . 54.42 112.52 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.1 103.01 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 71.41 110.934 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -90.42 117.37 29.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 73.03 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.76 162.59 16.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 75.5 111.124 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -150.71 136.73 18.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 75.43 110.934 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -115.34 136.06 53.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 72.22 110.93 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -90.18 -25.63 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 74.15 110.809 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.97 -54.46 6.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 61.22 111.058 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -84.74 -16.37 41.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 74.11 111.074 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm 58.38 43.22 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 73.51 110.962 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.4 m -131.11 144.38 51.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 74.11 111.151 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.82 134.9 47.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.863 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -130.74 127.56 39.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 71.55 111.081 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.87 110.07 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.4 111.125 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 m -89.55 104.93 17.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.03 111.16 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 73.22 110.857 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.904 0.383 . . . . 74.45 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.1 125.91 26.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 55.41 111.074 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -104.09 168.55 9.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.803 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -130.82 149.68 52.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.073 -0.512 . . . . 70.05 110.938 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.7 tp -124.52 144.28 50.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.405 . . . . 72.33 110.947 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.5 mm -126.99 109.42 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 64.22 111.124 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.8 mt -100.99 89.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 72.24 111.08 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -73.33 77.24 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.846 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.21 125.32 6.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 64.31 112.475 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -25.89 68.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 75.23 110.863 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t -112.73 -33.29 6.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 73.21 111.206 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tt -154.44 111.83 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 75.51 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -85.1 166.07 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.809 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.1 -166.44 12.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 73.2 112.505 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -179.38 158.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 73.45 110.809 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -174.87 148.3 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 65.3 111.13 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.5 p -126.01 137.88 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 54.32 111.284 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.7 t -152.22 127.38 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 65.35 111.175 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -70.05 142.82 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 73.5 110.932 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.91 174.19 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.44 111.097 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.31 -25.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 72.12 111.135 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -137.66 167.0 22.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 64.45 110.813 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.45 74.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.53 111.086 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.66 -33.56 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 61.03 111.059 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.9 m -54.68 -49.31 70.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 71.03 111.12 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.45 -41.79 54.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.33 111.007 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -53.39 -28.61 30.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 75.42 110.911 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -57.88 -44.35 86.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 75.4 110.908 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.61 -34.36 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 74.14 111.082 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.13 -48.66 77.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.11 110.917 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.09 -32.55 71.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 71.03 110.835 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -70.08 -37.25 75.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.981 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.4 -41.85 98.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 71.22 110.911 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.0 -44.62 21.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 74.25 111.035 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -55.99 -40.76 73.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 53.13 110.829 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.81 -26.37 57.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.873 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -100.3 21.97 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.45 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.35 36.86 90.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 60.4 112.451 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.2 mt -98.39 129.71 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 75.24 111.091 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -157.63 131.98 8.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 75.15 110.854 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.12 -152.74 9.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.819 -0.705 . . . . 54.42 112.576 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -78.7 92.01 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 71.41 110.916 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -78.63 131.56 36.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.03 110.898 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.0 p -133.81 174.48 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 75.5 111.251 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -158.57 157.54 32.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.271 -0.422 . . . . 75.43 110.843 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -127.09 139.04 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 72.22 110.78 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -90.13 -25.2 20.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 74.15 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.64 -48.64 14.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 61.22 111.048 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 p -89.04 -17.05 30.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 74.11 111.168 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp 58.36 42.48 21.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 73.51 110.92 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.4 m -131.36 144.26 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 74.11 111.25 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -103.78 145.14 30.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.883 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.1 m -148.4 131.37 16.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.55 111.072 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -120.83 134.61 63.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 74.4 111.142 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -102.93 103.86 14.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.03 111.118 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 73.22 110.85 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 mtp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.844 0.354 . . . . 74.45 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 m -96.42 129.5 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 55.41 111.096 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.9 157.02 23.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 73.33 110.886 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -121.53 149.29 43.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 70.05 110.906 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 tp -117.85 139.16 51.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.91 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.7 mm -126.93 109.44 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 64.22 111.038 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.3 mt -102.43 89.92 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 72.24 111.15 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -71.32 84.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.24 110.845 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.49 125.04 8.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 64.31 112.374 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -25.76 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 75.23 110.848 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -109.22 -33.06 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 73.21 111.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -154.23 113.19 3.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 75.51 110.986 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -80.69 159.69 25.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.9 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.96 174.17 30.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 73.2 112.482 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -176.69 157.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 73.45 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -171.36 163.67 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 65.3 111.156 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.2 p -128.29 158.26 38.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 54.32 111.152 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -161.06 135.43 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 65.35 111.148 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.69 127.13 32.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.93 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.65 175.48 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.035 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.12 -33.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 72.12 111.086 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -137.43 173.8 11.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.252 -0.431 . . . . 64.45 110.924 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.54 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 74.53 111.051 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.35 -36.78 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 61.03 111.077 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.2 m -57.79 -49.52 76.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 71.03 111.149 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.89 -39.59 76.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 75.33 111.112 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -52.05 -36.74 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.99 0.424 . . . . 75.42 110.931 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -57.55 -32.46 67.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 75.4 110.886 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.1 t -87.8 -40.02 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.176 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.6 mt -62.75 -52.31 63.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.126 -0.488 . . . . 71.11 110.888 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -52.52 -29.46 25.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 71.03 110.927 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -80.19 -37.74 32.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.958 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -57.63 -50.33 73.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 71.22 110.856 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.36 -52.33 54.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.25 111.047 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -51.87 -50.44 60.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 53.13 110.883 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -56.37 -29.33 61.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 74.51 110.874 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -85.95 -16.82 37.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 73.45 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.41 25.41 9.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 60.4 112.435 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 mp -118.31 121.86 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 75.24 111.155 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -157.61 127.45 6.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.858 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.48 -135.01 1.79 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.687 -0.768 . . . . 54.42 112.461 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -73.81 106.98 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 71.41 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -92.26 128.29 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.03 110.975 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.6 p -130.54 137.6 49.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.225 -0.443 . . . . 75.5 111.078 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -121.22 139.81 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.892 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -112.91 130.58 56.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 72.22 110.881 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -90.16 -25.49 20.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.856 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.07 -39.08 23.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 61.22 111.048 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.6 p -97.08 -16.97 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.11 111.059 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp 58.31 42.97 20.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 73.51 110.895 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -135.43 144.28 46.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.11 111.16 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -104.68 136.27 44.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 74.44 110.904 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.2 m -130.39 129.81 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 71.55 111.178 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -113.53 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 74.4 111.136 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 m -88.36 103.95 16.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.143 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.913 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 74.45 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -86.8 131.93 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 55.41 111.144 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -109.29 162.73 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.21 130.66 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 70.05 110.897 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 tp -99.78 136.22 40.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.893 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.7 mm -123.02 105.08 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.22 111.182 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mt -99.87 89.92 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 72.24 111.09 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -72.48 80.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.906 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.26 119.99 6.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 64.31 112.474 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -27.94 69.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.37 . . . . 75.23 110.876 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -101.22 -31.96 10.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.21 111.17 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.8 tp -153.13 110.78 3.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.965 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -100.78 156.35 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.922 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.71 -177.7 38.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 73.2 112.498 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -163.4 151.49 13.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.397 . . . . 73.45 110.861 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 t -156.57 151.93 26.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 65.3 111.162 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.1 p -124.02 148.34 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 54.32 111.11 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -148.1 138.13 22.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 65.35 111.131 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -72.28 129.01 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 73.5 110.883 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.15 168.23 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 74.44 111.078 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -102.46 -28.03 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.12 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -137.54 159.65 41.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 64.45 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.59 -25.92 54.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.53 111.088 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 -30.55 31.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 61.03 111.09 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.6 m -67.49 -44.03 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 71.03 111.139 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.74 -44.34 42.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.33 111.121 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -53.52 -29.03 34.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.869 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -60.72 -42.39 97.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 75.4 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -85.17 -38.1 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 74.14 111.092 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.78 -49.08 76.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.915 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -57.54 -31.69 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.03 110.881 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -75.97 -35.22 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 72.23 110.905 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -63.44 -44.17 95.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.915 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.7 -50.73 33.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 74.25 111.074 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -54.3 -37.81 65.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 53.13 110.925 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.21 -26.42 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 74.51 110.905 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -99.97 22.01 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.45 110.886 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.22 39.65 94.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 60.4 112.493 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 75.6 mt -103.39 127.82 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.329 . . . . 75.24 111.109 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.46 130.6 10.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 75.15 110.873 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.73 -149.3 7.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 54.42 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -74.57 102.33 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 71.41 110.876 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -88.59 116.42 26.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.487 . . . . 73.03 110.906 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -114.58 160.6 19.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 75.5 111.124 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -147.36 137.1 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.87 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.63 132.1 56.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 72.22 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -89.84 -28.02 19.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.78 -54.88 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 61.22 111.075 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.7 p -84.81 -15.56 44.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.104 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 58.31 46.35 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 73.51 110.933 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.9 m -133.0 143.79 49.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 74.11 111.163 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -106.11 135.33 47.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.895 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -134.49 130.46 36.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.55 111.118 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.27 111.16 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.093 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 m -86.51 100.07 12.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.03 111.122 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.91 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.4 mtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.869 0.366 . . . . 74.45 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 m -79.43 129.84 34.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 55.41 111.148 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -122.08 151.98 40.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.827 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -119.09 149.48 41.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 70.05 110.927 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 33.9 tp -118.25 135.69 54.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 72.33 110.915 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.4 mm -121.46 104.98 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 64.22 111.133 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.5 mt -98.63 89.94 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 72.24 111.161 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -73.07 78.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 72.24 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.95 114.13 4.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 64.31 112.461 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -59.46 -30.99 68.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 75.23 110.933 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -96.5 -29.11 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 73.21 111.133 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tt -154.46 107.48 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.898 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -101.99 154.61 18.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.913 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.09 167.18 39.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 73.2 112.478 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -149.19 156.48 42.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 73.45 110.867 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -160.75 156.1 24.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 65.3 111.16 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.4 p -126.16 153.07 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 54.32 111.153 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -150.42 136.55 18.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 65.35 111.126 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.49 120.18 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.5 110.948 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.5 177.68 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.44 111.068 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.7 m -101.17 -25.38 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 72.12 111.146 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -140.67 155.03 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 64.45 110.848 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.42 -31.78 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 74.53 111.138 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.32 -32.07 43.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.03 111.196 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.6 m -61.57 -42.68 99.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 71.03 111.086 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 -37.94 58.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 75.33 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.07 -34.84 70.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 75.42 110.87 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -57.67 -38.46 75.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 75.4 110.879 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.96 -43.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.14 111.108 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.4 mt -56.63 -46.2 81.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.947 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -61.18 -26.22 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 71.03 110.914 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -81.22 -37.64 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 72.23 110.775 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -57.28 -41.78 80.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.988 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.49 -45.45 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 74.25 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -54.74 -38.12 66.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 53.13 110.905 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.35 -26.16 64.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.899 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -99.03 22.02 10.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.45 110.882 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.17 39.97 95.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.677 -0.773 . . . . 60.4 112.504 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.6 mt -102.83 130.86 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.412 . . . . 75.24 111.062 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -157.25 129.64 7.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 75.15 110.872 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.3 -147.02 5.72 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.799 -0.715 . . . . 54.42 112.542 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -84.38 91.65 7.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 71.41 110.904 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -76.46 118.77 19.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.489 . . . . 73.03 110.941 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.64 162.99 15.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 75.5 111.187 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -150.13 147.6 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 75.43 111.004 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -124.81 135.94 53.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.797 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -90.23 -25.54 20.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.15 110.827 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.3 -50.85 11.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 61.22 111.132 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -86.69 -17.16 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 74.11 111.18 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp 58.28 42.6 21.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 73.51 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.8 m -128.75 144.34 51.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 74.11 111.082 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.69 132.77 50.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.89 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 m -137.8 119.38 14.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 71.55 111.204 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.8 p -110.44 122.95 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 74.4 111.174 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -92.91 113.57 25.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 74.03 111.178 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 73.22 110.908 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tpt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.856 0.36 . . . . 74.45 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -99.5 112.93 25.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 55.41 111.196 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -108.16 148.72 29.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 73.33 110.816 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -118.2 143.63 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 70.05 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.3 tp -111.59 135.24 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 72.33 110.895 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.6 mm -121.61 105.03 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 64.22 111.132 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.8 mt -99.15 89.9 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.432 . . . . 72.24 111.116 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -72.42 79.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 72.24 110.938 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.62 125.97 8.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 64.31 112.517 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -66.91 -31.44 72.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 75.23 110.941 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.4 p -94.0 -33.02 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.21 111.142 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -154.38 119.11 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 75.51 110.972 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -105.59 151.64 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 74.31 110.914 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.98 -179.48 40.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 73.2 112.493 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.89 159.11 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 73.45 110.886 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -162.05 154.87 20.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 65.3 111.194 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.2 p -124.05 158.83 31.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 54.32 111.133 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 t -158.26 129.37 6.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 65.35 111.163 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.44 121.29 17.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 73.5 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.07 177.25 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 74.44 111.123 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -107.52 -26.86 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 72.12 111.152 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -138.24 163.68 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 64.45 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.27 65.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.149 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.03 24.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 61.03 111.16 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.8 m -53.99 -47.72 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 71.03 111.132 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.32 -46.33 50.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.33 111.093 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -53.14 -30.29 36.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 75.42 110.913 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -60.32 -38.56 84.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 75.4 110.929 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.41 -39.64 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 74.14 111.133 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.02 -51.26 67.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 71.11 110.86 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -53.58 -28.37 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.03 110.869 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.83 -41.12 21.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 72.23 110.904 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -52.06 -55.12 22.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 71.22 111.052 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.69 78.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 74.25 111.099 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -52.06 -50.84 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 53.13 110.887 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.92 -40.09 75.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.854 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -72.09 -17.41 61.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 73.45 110.822 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.33 25.38 9.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 60.4 112.583 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.38 121.49 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 75.24 111.173 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.59 125.02 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 75.15 110.847 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.86 -133.43 1.48 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 54.42 112.495 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.33 100.64 3.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.795 0.331 . . . . 71.41 110.909 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -88.28 122.38 31.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 73.03 110.873 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -117.26 162.15 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 75.5 111.115 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -147.46 134.8 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.902 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.02 131.39 55.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 72.22 110.884 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -90.03 -25.48 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.15 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.63 -42.0 18.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 61.22 111.181 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -93.4 -17.57 23.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 74.11 111.094 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp 58.3 40.09 24.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 73.51 110.938 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.5 m -129.56 144.39 51.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 74.11 111.143 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -108.02 134.27 51.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.44 110.841 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.7 m -131.34 130.71 43.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 71.55 111.128 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.86 112.88 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.4 111.189 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.7 m -90.34 108.35 19.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.03 111.065 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.954 179.917 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mtm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.91 0.386 . . . . 74.45 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.4 m -92.02 138.85 31.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 55.41 111.131 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -113.4 157.38 21.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 73.33 110.857 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -131.97 141.43 49.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 70.05 110.837 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tt -113.08 139.08 49.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.928 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mm -120.29 104.56 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 64.22 111.118 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.7 mt -95.88 89.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 72.24 111.148 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -74.0 75.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.14 118.03 6.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 64.31 112.457 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -27.3 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 75.23 110.93 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -86.41 -45.14 11.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 73.21 111.125 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.35 112.72 3.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.939 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -84.76 153.83 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 74.31 110.931 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.7 163.02 36.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.668 -0.777 . . . . 73.2 112.47 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -144.52 167.67 21.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.994 0.426 . . . . 73.45 110.865 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -158.81 167.22 30.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 65.3 111.114 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -143.3 160.34 40.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 54.32 111.143 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -164.13 140.84 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 65.35 111.161 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -78.5 127.23 31.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 73.5 110.864 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.62 175.26 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.44 111.132 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 m -109.99 -27.91 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 72.12 111.096 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -134.35 169.35 17.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 64.45 110.835 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.14 79.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.53 111.078 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.48 -27.48 56.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 61.03 111.152 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.9 m -65.15 -49.83 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.087 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.18 -36.79 61.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 75.33 111.096 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.04 -35.29 46.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.911 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -36.19 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 75.4 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.02 -48.89 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.14 111.051 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mp -53.71 -41.29 66.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 71.11 110.804 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -68.52 -28.4 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.409 . . . . 71.03 110.899 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -81.48 -30.85 33.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.924 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -63.77 -45.06 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 71.22 110.914 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.69 -47.69 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 74.25 111.096 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -56.59 -42.33 78.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 53.13 110.879 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -53.64 -33.16 54.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.914 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.07 -18.21 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 73.45 110.942 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.96 31.12 7.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.792 -0.718 . . . . 60.4 112.486 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.6 mt -87.08 132.32 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.327 . . . . 75.24 111.133 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -151.35 129.7 12.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 75.15 110.882 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.34 -149.94 8.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 54.42 112.438 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -80.1 93.81 5.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.906 0.384 . . . . 71.41 110.993 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -79.38 125.75 29.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 73.03 110.898 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -128.39 130.45 47.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 75.5 111.141 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -120.7 138.24 54.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 75.43 110.948 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.06 134.69 54.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.866 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -90.11 -25.84 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 74.15 110.785 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.58 -53.56 8.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 61.22 111.131 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.8 p -85.72 -16.16 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 74.11 111.162 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt 58.31 45.36 17.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 73.51 110.88 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -134.48 143.83 47.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 74.11 111.182 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -101.97 152.57 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.912 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.7 m -156.96 109.05 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 71.55 111.156 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -99.52 123.04 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 74.4 111.111 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -91.27 109.41 20.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 74.03 111.1 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 73.22 110.893 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.936 0.398 . . . . 74.45 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 m -81.08 120.52 24.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 55.41 111.112 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -114.01 150.45 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.853 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -121.67 146.3 47.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 70.05 110.959 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tt -116.36 130.23 56.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 72.33 110.932 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mm -113.32 104.26 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 64.22 111.17 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.5 mt -94.96 89.94 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.153 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -73.82 75.92 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 72.24 110.886 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.78 116.53 5.33 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.83 -0.7 . . . . 64.31 112.554 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -25.94 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.349 . . . . 75.23 110.866 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -111.92 -32.61 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 73.21 111.071 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 tp -133.02 94.38 3.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 75.51 110.97 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -102.98 154.75 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.943 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.33 177.45 41.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 73.2 112.499 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -145.83 162.19 38.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.967 0.413 . . . . 73.45 110.817 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 t -158.28 156.97 31.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 65.3 111.156 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 p -136.38 155.1 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 54.32 111.213 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -155.63 121.76 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 65.35 111.126 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 116.24 12.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.5 110.893 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.58 175.0 9.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.529 . . . . 74.44 111.065 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.4 m -89.97 -30.6 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 72.12 111.109 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -141.15 174.12 10.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 64.45 110.784 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.77 -26.22 66.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 74.53 111.099 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.46 -28.49 31.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.412 . . . . 61.03 111.048 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.6 m -69.71 -41.94 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 71.03 111.162 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.5 -39.68 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 75.33 111.052 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -52.06 -38.25 56.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.881 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -52.96 -41.42 64.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 75.4 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.78 -39.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 74.14 111.089 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.7 mt -56.3 -46.37 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 71.11 110.974 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -64.67 -32.48 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 71.03 110.866 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -73.74 -30.14 62.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 72.23 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -67.01 -46.82 73.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.923 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.05 -52.87 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.092 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -53.72 -37.24 63.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 53.13 110.872 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.63 -26.3 63.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 74.51 110.787 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -98.31 22.0 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 73.45 110.895 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.99 20.32 53.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 60.4 112.469 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.8 mt -78.17 131.95 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 75.24 111.17 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -143.14 127.05 17.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 75.15 110.816 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.57 -158.0 20.3 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.734 -0.745 . . . . 54.42 112.49 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -90.31 126.66 35.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 71.41 110.927 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -96.11 129.23 43.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.128 -0.487 . . . . 73.03 110.845 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.9 p -122.81 131.03 53.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 75.5 111.171 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -117.51 134.55 54.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.918 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -116.12 129.83 56.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 72.22 110.921 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.11 -24.24 21.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.821 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.73 -29.3 62.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 61.22 111.079 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 p -116.06 -13.09 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 74.11 111.169 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt 58.35 44.45 18.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 73.51 110.936 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.8 m -137.05 149.49 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.233 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -105.95 153.35 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 74.44 110.836 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.8 m -146.38 109.02 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.55 111.193 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.06 107.79 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.4 111.139 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.5 m -88.74 103.73 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 74.03 111.205 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.823 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.916 0.389 . . . . 74.45 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -80.15 133.53 36.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 55.41 111.155 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -117.05 156.87 26.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 73.33 110.862 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -123.09 146.76 47.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 70.05 110.919 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.2 tp -116.08 136.08 53.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.933 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.5 mm -121.33 105.75 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 64.22 111.122 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mt -96.16 89.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 72.24 111.146 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -74.87 74.97 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.07 131.46 10.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 64.31 112.546 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -56.68 -24.9 52.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.818 0.342 . . . . 75.23 110.841 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -126.22 -37.23 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 73.21 111.161 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.34 96.78 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.51 110.912 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.96 139.26 49.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.915 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.28 -156.8 14.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 73.2 112.497 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -169.57 156.03 6.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.881 0.372 . . . . 73.45 110.858 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 t -155.78 150.74 26.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 65.3 111.083 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.8 p -120.59 157.7 28.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 54.32 111.143 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -155.54 127.94 7.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 65.35 111.123 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -71.44 124.14 23.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 73.5 110.885 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.79 -178.9 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 74.44 111.056 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.0 m -109.2 -28.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 72.12 111.058 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -139.06 170.47 15.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.252 -0.431 . . . . 64.45 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.53 -33.82 75.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 74.53 111.109 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.7 -26.47 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 61.03 111.057 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 m -68.93 -47.13 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 71.03 111.146 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.47 -44.45 57.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.33 111.047 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -53.84 -33.24 55.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.96 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -58.24 -40.84 82.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 75.4 110.927 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.28 -44.26 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.159 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.1 mt -56.66 -47.42 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 71.11 110.899 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -63.21 -30.27 71.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.03 110.899 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -74.9 -31.47 61.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.915 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -67.93 -41.6 82.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 71.22 110.913 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.28 -44.87 43.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 74.25 111.08 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -55.02 -41.7 71.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 53.13 110.824 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.61 -27.93 52.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.912 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -90.52 -18.16 25.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 73.45 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.96 30.73 6.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 60.4 112.499 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.4 mt -89.62 133.36 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 75.24 111.178 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -157.31 128.45 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.15 110.868 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.83 -137.07 2.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 54.42 112.464 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -90.63 96.0 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 71.41 110.952 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -84.03 116.4 22.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.962 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 p -110.53 174.3 5.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 75.5 111.194 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -158.18 144.42 17.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.909 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.36 131.98 56.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 72.22 110.869 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -90.09 -25.42 20.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 74.15 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.02 -43.01 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 61.22 111.103 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -92.07 -17.9 24.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.11 111.128 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 58.35 41.56 22.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 73.51 110.923 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.9 m -128.33 144.33 51.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.414 . . . . 74.11 111.11 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -103.42 145.08 30.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.817 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.8 m -148.33 127.61 13.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 71.55 111.155 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.56 124.57 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 74.4 111.151 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -98.04 111.77 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.03 111.114 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.894 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.899 0.38 . . . . 74.45 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m -102.87 144.89 30.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 55.41 111.09 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -128.55 157.66 40.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.876 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -129.95 144.49 51.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 70.05 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tt -115.14 131.03 57.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 72.33 110.941 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.3 mm -112.4 104.4 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 64.22 111.138 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.7 mt -94.13 90.01 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 72.24 111.179 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -74.3 75.69 1.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 72.24 110.917 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.03 131.3 10.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 64.31 112.453 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -26.07 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 75.23 110.946 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 t -104.49 -26.58 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 73.21 111.107 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tt -153.55 113.34 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 75.51 110.871 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -109.53 153.7 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.883 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.59 -173.2 39.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 73.2 112.439 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -154.75 162.37 41.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 73.45 110.911 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -157.34 165.46 35.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 65.3 111.15 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 p -143.07 160.15 40.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 54.32 111.129 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 t -166.13 125.55 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 65.35 111.185 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -70.28 129.08 38.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.827 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.78 170.79 15.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.17 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.7 m -91.02 -31.13 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 72.12 111.122 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -141.83 162.17 36.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 64.45 110.946 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.25 68.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.259 -0.428 . . . . 74.53 111.052 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.18 63.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 61.03 111.189 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.7 m -69.65 -45.94 67.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 71.03 111.151 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.99 -41.78 34.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.127 -0.488 . . . . 75.33 111.151 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -52.07 -30.64 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.851 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -62.93 -45.43 92.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 75.4 110.967 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.9 t -80.41 -33.8 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.17 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.69 -55.89 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 71.11 110.896 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -53.44 -31.08 43.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 71.03 110.92 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -74.63 -38.99 62.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 72.23 110.938 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.11 -52.57 50.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 71.22 110.908 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.89 80.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 74.25 111.123 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -51.91 -54.09 33.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 53.13 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -55.82 -35.85 66.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 74.51 110.87 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.415 HD21 ' N ' ' A' ' 37' ' ' ASN . 1.5 m-80 -75.72 -17.59 59.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 73.45 110.89 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.49 24.63 9.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 60.4 112.47 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.36 116.51 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 75.24 111.12 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.59 124.92 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 75.15 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.76 -128.05 0.99 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.781 -0.723 . . . . 54.42 112.527 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -71.48 92.82 1.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.796 0.331 . . . . 71.41 110.862 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -87.74 126.52 35.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.03 110.962 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -128.42 131.67 48.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 75.5 111.198 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -118.41 145.87 44.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.411 . . . . 75.43 110.899 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.29 132.37 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 72.22 110.814 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.12 -25.45 20.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.87 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.66 -39.86 21.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 61.22 111.053 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.7 p -95.77 -17.35 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 74.11 111.157 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 58.32 41.4 23.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 73.51 110.961 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -133.42 142.29 48.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.089 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -98.53 153.38 18.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.5 m -154.91 109.02 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.125 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 p -98.72 131.18 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 74.4 111.145 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -105.95 114.26 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 74.03 111.132 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.83 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 mtm . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.895 0.379 . . . . 74.45 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 m -78.05 133.19 37.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 55.41 111.185 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -127.66 151.69 48.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.928 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -118.93 144.82 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 70.05 110.863 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 tp -112.96 135.65 53.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.942 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 mm -122.28 109.37 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 64.22 111.149 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.0 mt -102.28 89.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 72.24 111.148 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -71.44 81.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.87 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.63 127.69 8.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.897 -0.668 . . . . 64.31 112.466 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.88 -26.73 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 75.23 110.912 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.4 t -102.33 -26.6 13.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 73.21 111.245 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.36 112.82 3.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.95 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -108.58 155.23 20.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.867 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.58 -171.32 40.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 73.2 112.529 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -165.53 159.3 16.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 73.45 110.796 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 t -157.17 157.59 34.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 65.3 111.07 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.4 p -131.03 145.85 52.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 54.32 111.119 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -145.16 119.5 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 65.35 111.157 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -74.08 108.01 6.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.3 174.71 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.44 111.006 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 m -85.44 -25.67 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 72.12 111.138 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -149.87 162.53 40.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.45 110.839 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.65 -37.5 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 74.53 111.071 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -36.27 74.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 61.03 111.127 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.4 m -68.8 -37.0 78.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 71.03 111.198 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.62 -45.16 17.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.33 111.138 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.33 -33.61 54.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 75.42 110.92 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -51.94 -36.59 49.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 75.4 110.96 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.13 -33.85 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.14 111.151 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.5 mt -60.33 -51.97 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.971 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -54.52 -32.13 57.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 71.03 110.951 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -74.97 -36.36 62.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.23 110.931 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -56.23 -50.26 71.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 71.22 110.949 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.88 37.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 74.25 111.033 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -51.94 -51.69 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 53.13 110.893 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.61 -30.06 60.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.983 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.404 HD21 ' N ' ' A' ' 37' ' ' ASN . 1.5 m-80 -86.88 -17.78 32.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.001 -0.545 . . . . 73.45 110.875 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.28 27.11 8.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.854 -0.689 . . . . 60.4 112.555 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.6 mp -118.33 122.5 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.337 . . . . 75.24 111.153 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -157.41 127.26 6.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 75.15 110.904 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -168.34 -132.6 1.44 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.733 -0.746 . . . . 54.42 112.52 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.1 103.01 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 71.41 110.934 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -90.42 117.37 29.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 73.03 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.76 162.59 16.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 75.5 111.124 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -150.71 136.73 18.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 75.43 110.934 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -115.34 136.06 53.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 72.22 110.93 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -90.18 -25.63 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 74.15 110.809 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.97 -54.46 6.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 61.22 111.058 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -84.74 -16.37 41.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 74.11 111.074 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm 58.38 43.22 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 73.51 110.962 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.4 m -131.11 144.38 51.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 74.11 111.151 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.82 134.9 47.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.863 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -130.74 127.56 39.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 71.55 111.081 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.87 110.07 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.4 111.125 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 m -89.55 104.93 17.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.03 111.16 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 73.22 110.857 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.904 0.383 . . . . 74.45 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.1 125.91 26.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 55.41 111.074 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -104.09 168.55 9.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.803 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -130.82 149.68 52.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.073 -0.512 . . . . 70.05 110.938 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.7 tp -124.52 144.28 50.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.405 . . . . 72.33 110.947 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.5 mm -126.99 109.42 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 64.22 111.124 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.8 mt -100.99 89.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 72.24 111.08 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -73.33 77.24 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.846 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.21 125.32 6.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 64.31 112.475 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -25.89 68.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 75.23 110.863 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t -112.73 -33.29 6.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 73.21 111.206 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tt -154.44 111.83 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 75.51 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -85.1 166.07 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 74.31 110.809 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.1 -166.44 12.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 73.2 112.505 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -179.38 158.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 73.45 110.809 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -174.87 148.3 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 65.3 111.13 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.5 p -126.01 137.88 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 54.32 111.284 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.7 t -152.22 127.38 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 65.35 111.175 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -70.05 142.82 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 73.5 110.932 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -155.91 174.19 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.44 111.097 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.31 -25.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 72.12 111.135 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -137.66 167.0 22.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 64.45 110.813 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.45 74.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.53 111.086 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.66 -33.56 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 61.03 111.059 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.9 m -54.68 -49.31 70.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 71.03 111.12 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.45 -41.79 54.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.33 111.007 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -53.39 -28.61 30.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 75.42 110.911 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -57.88 -44.35 86.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 75.4 110.908 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.61 -34.36 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 74.14 111.082 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.13 -48.66 77.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.11 110.917 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.09 -32.55 71.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 71.03 110.835 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -70.08 -37.25 75.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.981 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.4 -41.85 98.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 71.22 110.911 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.0 -44.62 21.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 74.25 111.035 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -55.99 -40.76 73.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 53.13 110.829 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.81 -26.37 57.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.873 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -100.3 21.97 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.45 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.35 36.86 90.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 60.4 112.451 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.2 mt -98.39 129.71 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 75.24 111.091 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -157.63 131.98 8.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 75.15 110.854 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.12 -152.74 9.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.819 -0.705 . . . . 54.42 112.576 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -78.7 92.01 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 71.41 110.916 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -78.63 131.56 36.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.03 110.898 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.0 p -133.81 174.48 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 75.5 111.251 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -158.57 157.54 32.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.271 -0.422 . . . . 75.43 110.843 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -127.09 139.04 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 72.22 110.78 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -90.13 -25.2 20.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 74.15 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.64 -48.64 14.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 61.22 111.048 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 p -89.04 -17.05 30.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 74.11 111.168 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp 58.36 42.48 21.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 73.51 110.92 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.4 m -131.36 144.26 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 74.11 111.25 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -103.78 145.14 30.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.883 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.1 m -148.4 131.37 16.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.55 111.072 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -120.83 134.61 63.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 74.4 111.142 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -102.93 103.86 14.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.03 111.118 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 73.22 110.85 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 mtp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.844 0.354 . . . . 74.45 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 m -96.42 129.5 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 55.41 111.096 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.9 157.02 23.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 73.33 110.886 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -121.53 149.29 43.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 70.05 110.906 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 tp -117.85 139.16 51.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 72.33 110.91 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.7 mm -126.93 109.44 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 64.22 111.038 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.3 mt -102.43 89.92 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 72.24 111.15 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -71.32 84.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.24 110.845 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.49 125.04 8.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 64.31 112.374 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -25.76 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 75.23 110.848 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -109.22 -33.06 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 73.21 111.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -154.23 113.19 3.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 75.51 110.986 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -80.69 159.69 25.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.9 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.96 174.17 30.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 73.2 112.482 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -176.69 157.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 73.45 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -171.36 163.67 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 65.3 111.156 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.2 p -128.29 158.26 38.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 54.32 111.152 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -161.06 135.43 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 65.35 111.148 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.69 127.13 32.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.93 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.65 175.48 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.035 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.12 -33.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 72.12 111.086 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -137.43 173.8 11.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.252 -0.431 . . . . 64.45 110.924 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.54 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 74.53 111.051 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.35 -36.78 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 61.03 111.077 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.2 m -57.79 -49.52 76.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 71.03 111.149 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.89 -39.59 76.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 75.33 111.112 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -52.05 -36.74 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.99 0.424 . . . . 75.42 110.931 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -57.55 -32.46 67.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 75.4 110.886 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.1 t -87.8 -40.02 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.176 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.6 mt -62.75 -52.31 63.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.126 -0.488 . . . . 71.11 110.888 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -52.52 -29.46 25.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 71.03 110.927 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -80.19 -37.74 32.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.958 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -57.63 -50.33 73.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 71.22 110.856 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.36 -52.33 54.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 74.25 111.047 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -51.87 -50.44 60.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 53.13 110.883 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -56.37 -29.33 61.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 74.51 110.874 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -85.95 -16.82 37.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 73.45 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.41 25.41 9.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 60.4 112.435 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 mp -118.31 121.86 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 75.24 111.155 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -157.61 127.45 6.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.858 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.48 -135.01 1.79 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.687 -0.768 . . . . 54.42 112.461 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -73.81 106.98 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 71.41 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -92.26 128.29 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.03 110.975 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.6 p -130.54 137.6 49.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.225 -0.443 . . . . 75.5 111.078 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -121.22 139.81 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.892 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -112.91 130.58 56.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 72.22 110.881 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -90.16 -25.49 20.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.856 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.07 -39.08 23.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 61.22 111.048 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.6 p -97.08 -16.97 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.11 111.059 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp 58.31 42.97 20.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 73.51 110.895 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -135.43 144.28 46.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.11 111.16 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -104.68 136.27 44.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 74.44 110.904 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.2 m -130.39 129.81 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 71.55 111.178 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -113.53 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 74.4 111.136 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 m -88.36 103.95 16.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.143 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.913 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 73.519999999999996 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -86.8 131.93 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 52.420000000000002 111.144 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -109.29 162.73 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.310000000000002 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -129.21 130.66 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 70.049999999999997 110.897 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.644 ' HB2' HD22 ' A' ' 30' ' ' LEU . 27.5 tp -99.78 136.22 40.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 72.329999999999998 110.893 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.455 HG22 HG23 ' A' ' 53' ' ' THR . 21.7 mm -123.02 105.08 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.219999999999999 111.182 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.731 HG21 HD13 ' A' ' 39' ' ' ILE . 34.6 mt -99.87 89.92 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 72.239999999999995 111.09 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -72.48 80.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 72.239999999999995 110.906 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.26 119.99 6.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 64.310000000000002 112.474 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -27.94 69.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.37 . . . . 74.109999999999999 110.876 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -101.22 -31.96 10.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.099999999999994 111.17 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.8 tp -153.13 110.78 3.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 110.965 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -100.78 156.35 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.209999999999994 110.922 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.71 -177.7 38.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 64.409999999999997 112.498 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -163.4 151.49 13.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.397 . . . . 73.450000000000003 110.861 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.483 ' CG2' HD23 ' A' ' 5' ' ' LEU . 3.1 t -156.57 151.93 26.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 65.299999999999997 111.162 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 4' ' ' LYS . 61.1 p -124.02 148.34 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 54.32 111.11 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -148.1 138.13 22.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 64.430000000000007 111.131 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -72.28 129.01 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 73.5 110.883 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.644 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.15 168.23 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 74.439999999999998 111.078 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -102.46 -28.03 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 53.140000000000001 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -137.54 159.65 41.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 64.450000000000003 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.486 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -56.59 -25.92 54.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 61.020000000000003 111.088 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 -30.55 31.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 61.030000000000001 111.09 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.644 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 49.6 m -67.49 -44.03 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 71.030000000000001 111.139 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -75.74 -44.34 42.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.329999999999998 111.121 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -53.52 -29.03 34.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.420000000000002 110.869 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -60.72 -42.39 97.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 54.210000000000001 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -85.17 -38.1 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 74.140000000000001 111.092 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD22 ' HB2' ' A' ' 5' ' ' LEU . 97.3 mt -62.78 -49.08 76.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 71.109999999999999 110.915 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -57.54 -31.69 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 65.219999999999999 110.881 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -75.97 -35.22 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 72.230000000000004 110.905 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -63.44 -44.17 95.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.915 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.7 -50.73 33.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 65.099999999999994 111.074 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -54.3 -37.81 65.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 43.030000000000001 110.925 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.21 -26.42 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 53.140000000000001 110.905 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -99.97 22.01 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.230000000000004 110.886 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.22 39.65 94.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 51.420000000000002 112.493 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.731 HD13 HG21 ' A' ' 7' ' ' ILE . 75.6 mt -103.39 127.82 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.329 . . . . 75.239999999999995 111.109 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.46 130.6 10.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 75.150000000000006 110.873 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.73 -149.3 7.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 54.420000000000002 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -74.57 102.33 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 65.430000000000007 110.876 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -88.59 116.42 26.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.487 . . . . 73.030000000000001 110.906 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -114.58 160.6 19.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 65.030000000000001 111.124 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -147.36 137.1 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.430000000000007 110.87 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.63 132.1 56.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 72.219999999999999 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -89.84 -28.02 19.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.78 -54.88 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 53.32 111.075 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.7 p -84.81 -15.56 44.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 74.109999999999999 111.104 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 58.31 46.35 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 63.340000000000003 110.933 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.9 m -133.0 143.79 49.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 61.109999999999999 111.163 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.486 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 85.9 m-85 -106.11 135.33 47.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.439999999999998 110.895 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.455 HG23 HG22 ' A' ' 6' ' ' ILE . 91.1 m -134.49 130.46 36.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.549999999999997 111.118 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.27 111.16 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 111.093 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 m -86.51 100.07 12.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.030000000000001 111.122 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.537 ' CD ' HG23 ' A' ' 39' ' ' ILE . 21.1 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 71.329999999999998 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.4 mtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.869 0.366 . . . . 73.519999999999996 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 m -79.43 129.84 34.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 52.420000000000002 111.148 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -122.08 151.98 40.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 72.310000000000002 110.827 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.631 ' HA ' HG22 ' A' ' 17' ' ' THR . 5.7 ttmt -119.09 149.48 41.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 70.049999999999997 110.927 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.58 ' HB2' HD22 ' A' ' 30' ' ' LEU . 33.9 tp -118.25 135.69 54.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 72.329999999999998 110.915 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.746 ' CG2' HG23 ' A' ' 53' ' ' THR . 21.4 mm -121.46 104.98 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 64.219999999999999 111.133 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.838 HG21 HD13 ' A' ' 39' ' ' ILE . 43.5 mt -98.63 89.94 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 111.161 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -73.07 78.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 72.239999999999995 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.95 114.13 4.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 64.310000000000002 112.461 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -59.46 -30.99 68.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 74.109999999999999 110.933 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -96.5 -29.11 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 73.099999999999994 111.133 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tt -154.46 107.48 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.219999999999999 110.898 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -101.99 154.61 18.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 71.209999999999994 110.913 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.09 167.18 39.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 64.409999999999997 112.478 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -149.19 156.48 42.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 73.450000000000003 110.867 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -160.75 156.1 24.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 65.299999999999997 111.16 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 4' ' ' LYS . 80.4 p -126.16 153.07 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 54.32 111.153 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -150.42 136.55 18.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 64.430000000000007 111.126 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.49 120.18 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.5 110.948 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.623 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -134.5 177.68 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 111.068 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.7 m -101.17 -25.38 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 53.140000000000001 111.146 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -140.67 155.03 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 64.450000000000003 110.848 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.42 -31.78 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 61.020000000000003 111.138 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.32 -32.07 43.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.030000000000001 111.196 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.623 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 36.6 m -61.57 -42.68 99.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 71.030000000000001 111.086 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 -37.94 58.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 75.329999999999998 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.07 -34.84 70.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 75.420000000000002 110.87 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -57.67 -38.46 75.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 54.210000000000001 110.879 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.96 -43.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 111.108 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.58 HD22 ' HB2' ' A' ' 5' ' ' LEU . 60.4 mt -56.63 -46.2 81.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 71.109999999999999 110.947 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -61.18 -26.22 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 65.219999999999999 110.914 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -81.22 -37.64 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 72.230000000000004 110.775 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -57.28 -41.78 80.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 71.219999999999999 110.988 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.49 -45.45 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 65.099999999999994 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -54.74 -38.12 66.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 43.030000000000001 110.905 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.35 -26.16 64.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 53.140000000000001 110.899 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -99.03 22.02 10.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 110.882 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.17 39.97 95.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.677 -0.773 . . . . 51.420000000000002 112.504 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.838 HD13 HG21 ' A' ' 7' ' ' ILE . 60.6 mt -102.83 130.86 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.412 . . . . 75.239999999999995 111.062 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -157.25 129.64 7.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 75.150000000000006 110.872 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.3 -147.02 5.72 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.799 -0.715 . . . . 54.420000000000002 112.542 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -84.38 91.65 7.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 65.430000000000007 110.904 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -76.46 118.77 19.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.489 . . . . 73.030000000000001 110.941 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.64 162.99 15.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 65.030000000000001 111.187 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -150.13 147.6 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 75.430000000000007 111.004 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -124.81 135.94 53.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.797 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -90.23 -25.54 20.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.150000000000006 110.827 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.3 -50.85 11.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 53.32 111.132 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -86.69 -17.16 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 111.18 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp 58.28 42.6 21.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 63.340000000000003 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.8 m -128.75 144.34 51.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 61.109999999999999 111.082 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.69 132.77 50.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 110.89 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.746 HG23 ' CG2' ' A' ' 6' ' ' ILE . 16.5 m -137.8 119.38 14.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 71.549999999999997 111.204 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 54' ' ' VAL . 6.8 p -110.44 122.95 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 74.400000000000006 111.174 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -92.91 113.57 25.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 74.030000000000001 111.178 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 71.329999999999998 110.908 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tpt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.856 0.36 . . . . 73.519999999999996 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -99.5 112.93 25.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 52.420000000000002 111.196 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -108.16 148.72 29.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 72.310000000000002 110.816 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.433 ' HA ' HG22 ' A' ' 17' ' ' THR . 6.6 ttmt -118.2 143.63 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 70.049999999999997 110.876 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 30' ' ' LEU . 28.3 tp -111.59 135.24 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 72.329999999999998 110.895 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.6 mm -121.61 105.03 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 64.219999999999999 111.132 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.628 ' CG2' HG21 ' A' ' 39' ' ' ILE . 53.8 mt -99.15 89.9 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.432 . . . . 72.239999999999995 111.116 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -72.42 79.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 72.239999999999995 110.938 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.62 125.97 8.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 64.310000000000002 112.517 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -66.91 -31.44 72.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 74.109999999999999 110.941 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.4 p -94.0 -33.02 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.099999999999994 111.142 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -154.38 119.11 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 72.219999999999999 110.972 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -105.59 151.64 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 71.209999999999994 110.914 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.98 -179.48 40.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 64.409999999999997 112.493 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.89 159.11 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 73.450000000000003 110.886 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -162.05 154.87 20.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 111.194 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 4' ' ' LYS . 32.2 p -124.05 158.83 31.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 54.32 111.133 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.436 HG22 HD21 ' A' ' 30' ' ' LEU . 3.9 t -158.26 129.37 6.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 64.430000000000007 111.163 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.44 121.29 17.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 73.5 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.668 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -138.07 177.25 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 74.439999999999998 111.123 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -107.52 -26.86 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 53.140000000000001 111.152 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -138.24 163.68 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 64.450000000000003 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.27 65.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 61.020000000000003 111.149 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.03 24.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 61.030000000000001 111.16 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.668 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 19.8 m -53.99 -47.72 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 71.030000000000001 111.132 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -73.32 -46.33 50.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.329999999999998 111.093 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -53.14 -30.29 36.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 75.420000000000002 110.913 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -60.32 -38.56 84.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 54.210000000000001 110.929 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.41 -39.64 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 74.140000000000001 111.133 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.563 ' HB3' HD22 ' A' ' 5' ' ' LEU . 79.5 mt -63.02 -51.26 67.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 71.109999999999999 110.86 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -53.58 -28.37 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 65.219999999999999 110.869 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.83 -41.12 21.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 72.230000000000004 110.904 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -52.06 -55.12 22.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 111.052 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.69 78.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 65.099999999999994 111.099 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -52.06 -50.84 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 43.030000000000001 110.887 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.92 -40.09 75.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 53.140000000000001 110.854 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -72.09 -17.41 61.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 110.822 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.33 25.38 9.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 51.420000000000002 112.583 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.628 HG21 ' CG2' ' A' ' 7' ' ' ILE . 5.2 mp -118.38 121.49 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 75.239999999999995 111.173 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.59 125.02 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 75.150000000000006 110.847 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.86 -133.43 1.48 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 54.420000000000002 112.495 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.33 100.64 3.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.795 0.331 . . . . 65.430000000000007 110.909 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -88.28 122.38 31.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 73.030000000000001 110.873 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -117.26 162.15 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 65.030000000000001 111.115 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -147.46 134.8 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.902 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.02 131.39 55.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 72.219999999999999 110.884 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -90.03 -25.48 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.150000000000006 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.63 -42.0 18.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 53.32 111.181 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -93.4 -17.57 23.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 74.109999999999999 111.094 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp 58.3 40.09 24.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 63.340000000000003 110.938 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.5 m -129.56 144.39 51.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 61.109999999999999 111.143 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -108.02 134.27 51.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 110.841 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.7 m -131.34 130.71 43.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 71.549999999999997 111.128 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.437 HG12 ' OE1' ' A' ' 56' ' ' GLU . 21.6 t -113.86 112.88 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 111.189 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.7 m -90.34 108.35 19.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.030000000000001 111.065 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' OE1' HG12 ' A' ' 54' ' ' VAL . 3.2 mp0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 71.329999999999998 110.954 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mtm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.91 0.386 . . . . 73.519999999999996 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.4 m -92.02 138.85 31.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 52.420000000000002 111.131 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -113.4 157.38 21.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 72.310000000000002 110.857 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HG3' HG22 ' A' ' 17' ' ' THR . 8.3 tttt -131.97 141.43 49.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 70.049999999999997 110.837 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 6' ' ' ILE . 2.7 tt -113.08 139.08 49.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 110.928 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.649 ' N ' HD23 ' A' ' 5' ' ' LEU . 20.6 mm -120.29 104.56 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 64.219999999999999 111.118 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.746 HG21 HD13 ' A' ' 39' ' ' ILE . 40.7 mt -95.88 89.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 72.239999999999995 111.148 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -74.0 75.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.239999999999995 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.14 118.03 6.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 64.310000000000002 112.457 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.626 ' HD2' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -59.59 -27.3 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 74.109999999999999 110.93 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.626 HG23 ' HD2' ' A' ' 10' ' ' LYS . 1.1 p -86.41 -45.14 11.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 73.099999999999994 111.125 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.35 112.72 3.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 72.219999999999999 110.939 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -84.76 153.83 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 71.209999999999994 110.931 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.7 163.02 36.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.668 -0.777 . . . . 64.409999999999997 112.47 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.54 ' HG2' HD13 ' A' ' 6' ' ' ILE . 80.4 mt-10 -144.52 167.67 21.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.994 0.426 . . . . 73.450000000000003 110.865 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.425 HG22 ' HB3' ' A' ' 5' ' ' LEU . 9.8 t -158.81 167.22 30.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 65.299999999999997 111.114 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.412 HG22 ' HG3' ' A' ' 4' ' ' LYS . 71.3 p -143.3 160.34 40.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 54.32 111.143 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -164.13 140.84 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 64.430000000000007 111.161 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -78.5 127.23 31.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 73.5 110.864 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.598 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -147.62 175.26 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 111.132 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 m -109.99 -27.91 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 53.140000000000001 111.096 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -134.35 169.35 17.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 64.450000000000003 110.835 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.14 79.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 61.020000000000003 111.078 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.48 -27.48 56.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 61.030000000000001 111.152 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.598 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 49.9 m -65.15 -49.83 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 71.030000000000001 111.087 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -75.18 -36.79 61.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 75.329999999999998 111.096 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.04 -35.29 46.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 75.420000000000002 110.911 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -36.19 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 54.210000000000001 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.02 -48.89 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.140000000000001 111.051 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.593 HD23 ' HG ' ' A' ' 5' ' ' LEU . 4.4 mp -53.71 -41.29 66.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 71.109999999999999 110.804 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -68.52 -28.4 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.409 . . . . 65.219999999999999 110.899 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -81.48 -30.85 33.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 72.230000000000004 110.924 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -63.77 -45.06 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 71.219999999999999 110.914 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.652 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -77.69 -47.69 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 65.099999999999994 111.096 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -56.59 -42.33 78.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 43.030000000000001 110.879 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -53.64 -33.16 54.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 53.140000000000001 110.914 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.07 -18.21 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 110.942 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.96 31.12 7.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.792 -0.718 . . . . 51.420000000000002 112.486 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.746 HD13 HG21 ' A' ' 7' ' ' ILE . 65.6 mt -87.08 132.32 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.327 . . . . 75.239999999999995 111.133 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -151.35 129.7 12.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 75.150000000000006 110.882 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.34 -149.94 8.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 54.420000000000002 112.438 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -80.1 93.81 5.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.906 0.384 . . . . 65.430000000000007 110.993 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -79.38 125.75 29.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 73.030000000000001 110.898 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -128.39 130.45 47.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 65.030000000000001 111.141 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -120.7 138.24 54.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 75.430000000000007 110.948 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.06 134.69 54.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 72.219999999999999 110.866 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -90.11 -25.84 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 74.150000000000006 110.785 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.58 -53.56 8.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 53.32 111.131 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.8 p -85.72 -16.16 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 74.109999999999999 111.162 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt 58.31 45.36 17.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 63.340000000000003 110.88 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -134.48 143.83 47.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 61.109999999999999 111.182 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -101.97 152.57 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.912 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.508 HG23 ' CG2' ' A' ' 6' ' ' ILE . 95.7 m -156.96 109.05 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 71.549999999999997 111.156 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 54' ' ' VAL . 6.7 p -99.52 123.04 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 74.400000000000006 111.111 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -91.27 109.41 20.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 111.1 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.495 ' CD ' HG23 ' A' ' 39' ' ' ILE . 11.5 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 71.329999999999998 110.893 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.936 0.398 . . . . 73.519999999999996 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 m -81.08 120.52 24.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 52.420000000000002 111.112 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -114.01 150.45 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 72.310000000000002 110.853 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -121.67 146.3 47.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 70.049999999999997 110.959 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 6' ' ' ILE . 2.2 tt -116.36 130.23 56.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 72.329999999999998 110.932 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.577 ' N ' HD23 ' A' ' 5' ' ' LEU . 20.6 mm -113.32 104.26 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 64.219999999999999 111.17 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.712 HG21 HD13 ' A' ' 39' ' ' ILE . 45.5 mt -94.96 89.94 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 72.239999999999995 111.153 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -73.82 75.92 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 72.239999999999995 110.886 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.78 116.53 5.33 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.83 -0.7 . . . . 64.310000000000002 112.554 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -25.94 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.349 . . . . 74.109999999999999 110.866 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -111.92 -32.61 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 73.099999999999994 111.071 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 tp -133.02 94.38 3.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 72.219999999999999 110.97 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -102.98 154.75 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 71.209999999999994 110.943 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.33 177.45 41.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 64.409999999999997 112.499 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -145.83 162.19 38.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.967 0.413 . . . . 73.450000000000003 110.817 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 t -158.28 156.97 31.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 65.299999999999997 111.156 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 p -136.38 155.1 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 54.32 111.213 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -155.63 121.76 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 111.126 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 116.24 12.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.5 110.893 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.71 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -131.58 175.0 9.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.529 . . . . 74.439999999999998 111.065 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.4 m -89.97 -30.6 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 53.140000000000001 111.109 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -141.15 174.12 10.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 64.450000000000003 110.784 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.77 -26.22 66.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 61.020000000000003 111.099 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.46 -28.49 31.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.412 . . . . 61.030000000000001 111.048 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.71 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 23.6 m -69.71 -41.94 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 71.030000000000001 111.162 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -76.5 -39.68 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 75.329999999999998 111.052 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -52.06 -38.25 56.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 75.420000000000002 110.881 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -52.96 -41.42 64.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 54.210000000000001 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.78 -39.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 74.140000000000001 111.089 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 5' ' ' LEU . 91.7 mt -56.3 -46.37 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 71.109999999999999 110.974 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -64.67 -32.48 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 65.219999999999999 110.866 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -73.74 -30.14 62.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 72.230000000000004 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -67.01 -46.82 73.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 71.219999999999999 110.923 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' HA ' HD12 ' A' ' 39' ' ' ILE . . . -70.05 -52.87 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 65.099999999999994 111.092 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -53.72 -37.24 63.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 43.030000000000001 110.872 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.63 -26.3 63.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 53.140000000000001 110.787 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -98.31 22.0 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 110.895 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.99 20.32 53.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 51.420000000000002 112.469 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.712 HD13 HG21 ' A' ' 7' ' ' ILE . 78.8 mt -78.17 131.95 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 75.239999999999995 111.17 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -143.14 127.05 17.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 75.150000000000006 110.816 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.57 -158.0 20.3 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.734 -0.745 . . . . 54.420000000000002 112.49 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -90.31 126.66 35.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 65.430000000000007 110.927 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.477 ' CD2' HG22 ' A' ' 54' ' ' VAL . 39.6 m95 -96.11 129.23 43.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.128 -0.487 . . . . 73.030000000000001 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.9 p -122.81 131.03 53.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 65.030000000000001 111.171 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -117.51 134.55 54.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.918 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -116.12 129.83 56.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 72.219999999999999 110.921 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.11 -24.24 21.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.821 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.73 -29.3 62.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 53.32 111.079 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 p -116.06 -13.09 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 74.109999999999999 111.169 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt 58.35 44.45 18.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 63.340000000000003 110.936 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.8 m -137.05 149.49 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 61.109999999999999 111.233 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -105.95 153.35 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 74.439999999999998 110.836 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.8 m -146.38 109.02 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.549999999999997 111.193 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.477 HG22 ' CD2' ' A' ' 43' ' ' TRP . 21.8 t -93.06 107.79 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 111.139 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.5 m -88.74 103.73 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 74.030000000000001 111.205 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' OE2' HG12 ' A' ' 54' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.329999999999998 110.823 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.916 0.389 . . . . 73.519999999999996 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -80.15 133.53 36.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 52.420000000000002 111.155 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -117.05 156.87 26.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 72.310000000000002 110.862 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -123.09 146.76 47.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 70.049999999999997 110.919 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.571 HD23 ' CG2' ' A' ' 16' ' ' THR . 26.2 tp -116.08 136.08 53.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.329999999999998 110.933 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.635 ' CG2' HG23 ' A' ' 53' ' ' THR . 20.5 mm -121.33 105.75 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 64.219999999999999 111.122 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mt -96.16 89.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 72.239999999999995 111.146 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -74.87 74.97 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.07 131.46 10.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 64.310000000000002 112.546 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -56.68 -24.9 52.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.818 0.342 . . . . 74.109999999999999 110.841 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -126.22 -37.23 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 111.161 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.34 96.78 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.219999999999999 110.912 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.96 139.26 49.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 71.209999999999994 110.915 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.28 -156.8 14.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 64.409999999999997 112.497 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -169.57 156.03 6.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.881 0.372 . . . . 73.450000000000003 110.858 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.571 ' CG2' HD23 ' A' ' 5' ' ' LEU . 3.0 t -155.78 150.74 26.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 65.299999999999997 111.083 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.8 p -120.59 157.7 28.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 54.32 111.143 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -155.54 127.94 7.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 64.430000000000007 111.123 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -71.44 124.14 23.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 73.5 110.885 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -142.79 -178.9 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 111.056 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.0 m -109.2 -28.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 53.140000000000001 111.058 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -139.06 170.47 15.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.252 -0.431 . . . . 64.450000000000003 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.53 -33.82 75.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 61.020000000000003 111.109 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.7 -26.47 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 61.030000000000001 111.057 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.723 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 23.7 m -68.93 -47.13 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 71.030000000000001 111.146 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -73.47 -44.45 57.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.329999999999998 111.047 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -53.84 -33.24 55.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.420000000000002 110.96 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -58.24 -40.84 82.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 54.210000000000001 110.927 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.28 -44.26 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 111.159 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' A' ' 5' ' ' LEU . 75.1 mt -56.66 -47.42 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 71.109999999999999 110.899 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -63.21 -30.27 71.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 65.219999999999999 110.899 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -74.9 -31.47 61.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.915 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -67.93 -41.6 82.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 71.219999999999999 110.913 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -75.28 -44.87 43.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 65.099999999999994 111.08 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -55.02 -41.7 71.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 43.030000000000001 110.824 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.61 -27.93 52.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 53.140000000000001 110.912 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -90.52 -18.16 25.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 73.230000000000004 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.96 30.73 6.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 51.420000000000002 112.499 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.482 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 56.4 mt -89.62 133.36 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 75.239999999999995 111.178 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -157.31 128.45 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.150000000000006 110.868 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.83 -137.07 2.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 54.420000000000002 112.464 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -90.63 96.0 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 65.430000000000007 110.952 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -84.03 116.4 22.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 73.030000000000001 110.962 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 p -110.53 174.3 5.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 65.030000000000001 111.194 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -158.18 144.42 17.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 75.430000000000007 110.909 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.36 131.98 56.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 72.219999999999999 110.869 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -90.09 -25.42 20.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 74.150000000000006 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.02 -43.01 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 53.32 111.103 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -92.07 -17.9 24.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.109999999999999 111.128 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 58.35 41.56 22.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 63.340000000000003 110.923 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.9 m -128.33 144.33 51.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.414 . . . . 61.109999999999999 111.11 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -103.42 145.08 30.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 110.817 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.635 HG23 ' CG2' ' A' ' 6' ' ' ILE . 25.8 m -148.33 127.61 13.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 71.549999999999997 111.155 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.56 124.57 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 74.400000000000006 111.151 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -98.04 111.77 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.030000000000001 111.114 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 71.329999999999998 110.894 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.899 0.38 . . . . 73.519999999999996 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m -102.87 144.89 30.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 52.420000000000002 111.09 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -128.55 157.66 40.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 110.876 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -129.95 144.49 51.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 70.049999999999997 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.625 HD23 ' N ' ' A' ' 6' ' ' ILE . 3.0 tt -115.14 131.03 57.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 72.329999999999998 110.941 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.64 ' CG2' HG23 ' A' ' 53' ' ' THR . 20.3 mm -112.4 104.4 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 64.219999999999999 111.138 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.809 HG23 HG21 ' A' ' 39' ' ' ILE . 52.7 mt -94.13 90.01 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 72.239999999999995 111.179 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -74.3 75.69 1.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 72.239999999999995 110.917 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.03 131.3 10.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 64.310000000000002 112.453 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -26.07 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 74.109999999999999 110.946 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 t -104.49 -26.58 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 73.099999999999994 111.107 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tt -153.55 113.34 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 72.219999999999999 110.871 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -109.53 153.7 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 71.209999999999994 110.883 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.59 -173.2 39.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 64.409999999999997 112.439 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -154.75 162.37 41.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 73.450000000000003 110.911 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 5' ' ' LEU . 10.2 t -157.34 165.46 35.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 65.299999999999997 111.15 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 p -143.07 160.15 40.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 54.32 111.129 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.549 HG22 HD21 ' A' ' 30' ' ' LEU . 2.2 t -166.13 125.55 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 64.430000000000007 111.185 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -70.28 129.08 38.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.827 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.588 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -144.78 170.79 15.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 111.17 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.7 m -91.02 -31.13 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 53.140000000000001 111.122 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -141.83 162.17 36.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 64.450000000000003 110.946 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.25 68.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.259 -0.428 . . . . 61.020000000000003 111.052 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.18 63.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 61.030000000000001 111.189 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.588 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 59.7 m -69.65 -45.94 67.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 71.030000000000001 111.151 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -77.99 -41.78 34.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.127 -0.488 . . . . 75.329999999999998 111.151 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -52.07 -30.64 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.420000000000002 110.851 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -62.93 -45.43 92.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 54.210000000000001 110.967 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.9 t -80.41 -33.8 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 74.140000000000001 111.17 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.562 HD22 ' HB2' ' A' ' 5' ' ' LEU . 92.2 mt -64.69 -55.89 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 71.109999999999999 110.896 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -53.44 -31.08 43.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 65.219999999999999 110.92 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -74.63 -38.99 62.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 72.230000000000004 110.938 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.11 -52.57 50.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 71.219999999999999 110.908 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.89 80.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 65.099999999999994 111.123 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -51.91 -54.09 33.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 43.030000000000001 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -55.82 -35.85 66.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 53.140000000000001 110.87 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.72 -17.59 59.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 73.230000000000004 110.89 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.49 24.63 9.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 51.420000000000002 112.47 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.809 HG21 HG23 ' A' ' 7' ' ' ILE . 5.2 mp -118.36 116.51 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 75.239999999999995 111.12 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.59 124.92 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 75.150000000000006 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.76 -128.05 0.99 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.781 -0.723 . . . . 54.420000000000002 112.527 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -71.48 92.82 1.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.796 0.331 . . . . 65.430000000000007 110.862 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.431 ' HH2' HD11 ' A' ' 5' ' ' LEU . 30.3 m95 -87.74 126.52 35.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.030000000000001 110.962 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -128.42 131.67 48.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 65.030000000000001 111.198 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -118.41 145.87 44.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.411 . . . . 75.430000000000007 110.899 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.29 132.37 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 72.219999999999999 110.814 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.12 -25.45 20.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.150000000000006 110.87 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.66 -39.86 21.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 53.32 111.053 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.7 p -95.77 -17.35 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 74.109999999999999 111.157 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 58.32 41.4 23.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 63.340000000000003 110.961 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -133.42 142.29 48.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 61.109999999999999 111.089 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -98.53 153.38 18.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 74.439999999999998 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.64 HG23 ' CG2' ' A' ' 6' ' ' ILE . 34.5 m -154.91 109.02 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.549999999999997 111.125 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 p -98.72 131.18 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.145 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -105.95 114.26 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 74.030000000000001 111.132 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' CD ' HG23 ' A' ' 39' ' ' ILE . 5.6 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 71.329999999999998 110.83 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 mtm . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.895 0.379 . . . . 73.519999999999996 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 m -78.05 133.19 37.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 52.420000000000002 111.185 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -127.66 151.69 48.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.310000000000002 110.928 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -118.93 144.82 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 70.049999999999997 110.863 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.587 HD23 ' CG2' ' A' ' 16' ' ' THR . 42.5 tp -112.96 135.65 53.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.329999999999998 110.942 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 mm -122.28 109.37 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 64.219999999999999 111.149 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.604 ' CG2' HG21 ' A' ' 39' ' ' ILE . 57.0 mt -102.28 89.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 72.239999999999995 111.148 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -71.44 81.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.239999999999995 110.87 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.63 127.69 8.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.897 -0.668 . . . . 64.310000000000002 112.466 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.88 -26.73 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 74.109999999999999 110.912 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.4 t -102.33 -26.6 13.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 73.099999999999994 111.245 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.36 112.82 3.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 110.95 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -108.58 155.23 20.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 71.209999999999994 110.867 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.58 -171.32 40.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 64.409999999999997 112.529 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -165.53 159.3 16.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 73.450000000000003 110.796 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.587 ' CG2' HD23 ' A' ' 5' ' ' LEU . 3.7 t -157.17 157.59 34.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 65.299999999999997 111.07 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.4 p -131.03 145.85 52.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 54.32 111.119 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.545 HG23 ' HB1' ' A' ' 26' ' ' ALA . 4.7 t -145.16 119.5 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 64.430000000000007 111.157 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -74.08 108.01 6.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.743 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -125.3 174.71 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 111.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 m -85.44 -25.67 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 53.140000000000001 111.138 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -149.87 162.53 40.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.450000000000003 110.839 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.65 -37.5 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 61.020000000000003 111.071 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -36.27 74.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 61.030000000000001 111.127 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.559 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 21.4 m -68.8 -37.0 78.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 71.030000000000001 111.198 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.743 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -80.62 -45.16 17.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 111.138 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.33 -33.61 54.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 75.420000000000002 110.92 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -51.94 -36.59 49.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 54.210000000000001 110.96 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.13 -33.85 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.140000000000001 111.151 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 5' ' ' LEU . 61.5 mt -60.33 -51.97 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 71.109999999999999 110.971 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -54.52 -32.13 57.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 65.219999999999999 110.951 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -74.97 -36.36 62.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.230000000000004 110.931 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.466 ' CG ' HG21 ' A' ' 16' ' ' THR . 24.4 t80 -56.23 -50.26 71.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 71.219999999999999 110.949 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.88 37.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 65.099999999999994 111.033 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -51.94 -51.69 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 43.030000000000001 110.893 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.61 -30.06 60.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 53.140000000000001 110.983 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -86.88 -17.78 32.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.001 -0.545 . . . . 73.230000000000004 110.875 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.28 27.11 8.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.854 -0.689 . . . . 51.420000000000002 112.555 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.604 HG21 ' CG2' ' A' ' 7' ' ' ILE . 3.6 mp -118.33 122.5 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.337 . . . . 75.239999999999995 111.153 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -157.41 127.26 6.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 75.150000000000006 110.904 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -168.34 -132.6 1.44 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.733 -0.746 . . . . 54.420000000000002 112.52 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.1 103.01 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 65.430000000000007 110.934 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -90.42 117.37 29.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 73.030000000000001 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.76 162.59 16.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 65.030000000000001 111.124 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -150.71 136.73 18.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 75.430000000000007 110.934 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -115.34 136.06 53.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 72.219999999999999 110.93 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -90.18 -25.63 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 74.150000000000006 110.809 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.97 -54.46 6.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 53.32 111.058 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -84.74 -16.37 41.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 74.109999999999999 111.074 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm 58.38 43.22 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 63.340000000000003 110.962 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.4 m -131.11 144.38 51.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 61.109999999999999 111.151 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.82 134.9 47.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 74.439999999999998 110.863 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -130.74 127.56 39.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 71.549999999999997 111.081 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.87 110.07 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.400000000000006 111.125 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 m -89.55 104.93 17.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.030000000000001 111.16 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.536 ' CD ' HG23 ' A' ' 39' ' ' ILE . 3.8 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 71.329999999999998 110.857 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.904 0.383 . . . . 73.519999999999996 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.1 125.91 26.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 52.420000000000002 111.074 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -104.09 168.55 9.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.310000000000002 110.803 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.507 ' HA ' HG22 ' A' ' 17' ' ' THR . 19.1 tttt -130.82 149.68 52.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.073 -0.512 . . . . 70.049999999999997 110.938 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 30' ' ' LEU . 58.7 tp -124.52 144.28 50.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.405 . . . . 72.329999999999998 110.947 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.54 ' CG2' HG23 ' A' ' 53' ' ' THR . 19.5 mm -126.99 109.42 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 64.219999999999999 111.124 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.822 HG21 HD13 ' A' ' 39' ' ' ILE . 61.8 mt -100.99 89.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 72.239999999999995 111.08 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -73.33 77.24 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 72.239999999999995 110.846 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.21 125.32 6.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 64.310000000000002 112.475 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -25.89 68.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 74.109999999999999 110.863 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t -112.73 -33.29 6.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 73.099999999999994 111.206 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tt -154.44 111.83 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 72.219999999999999 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -85.1 166.07 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 71.209999999999994 110.809 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.1 -166.44 12.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 64.409999999999997 112.505 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -179.38 158.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 73.450000000000003 110.809 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.592 ' CG2' HD23 ' A' ' 5' ' ' LEU . 1.8 t -174.87 148.3 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 65.299999999999997 111.13 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 4' ' ' LYS . 39.5 p -126.01 137.88 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 54.32 111.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.423 HG22 HD21 ' A' ' 30' ' ' LEU . 9.7 t -152.22 127.38 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 64.430000000000007 111.175 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -70.05 142.82 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 73.5 110.932 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.764 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -155.91 174.19 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.439999999999998 111.097 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.31 -25.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 53.140000000000001 111.135 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -137.66 167.0 22.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 64.450000000000003 110.813 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.45 74.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 61.020000000000003 111.086 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.66 -33.56 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 61.030000000000001 111.059 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.764 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 19.9 m -54.68 -49.31 70.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 71.030000000000001 111.12 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -75.45 -41.79 54.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.329999999999998 111.007 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -53.39 -28.61 30.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 75.420000000000002 110.911 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -57.88 -44.35 86.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 54.210000000000001 110.908 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.61 -34.36 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 111.082 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.743 ' HB3' HD22 ' A' ' 5' ' ' LEU . 95.3 mt -63.13 -48.66 77.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.109999999999999 110.917 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.09 -32.55 71.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 65.219999999999999 110.835 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -70.08 -37.25 75.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 110.981 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.4 -41.85 98.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 71.219999999999999 110.911 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HA ' HD12 ' A' ' 39' ' ' ILE . . . -79.0 -44.62 21.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 65.099999999999994 111.035 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -55.99 -40.76 73.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 43.030000000000001 110.829 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.81 -26.37 57.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 53.140000000000001 110.873 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -100.3 21.97 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.35 36.86 90.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 51.420000000000002 112.451 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.822 HD13 HG21 ' A' ' 7' ' ' ILE . 71.2 mt -98.39 129.71 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 75.239999999999995 111.091 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -157.63 131.98 8.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 75.150000000000006 110.854 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.12 -152.74 9.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.819 -0.705 . . . . 54.420000000000002 112.576 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -78.7 92.01 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 65.430000000000007 110.916 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -78.63 131.56 36.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.030000000000001 110.898 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.0 p -133.81 174.48 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.030000000000001 111.251 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -158.57 157.54 32.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.271 -0.422 . . . . 75.430000000000007 110.843 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -127.09 139.04 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 72.219999999999999 110.78 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -90.13 -25.2 20.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 74.150000000000006 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.64 -48.64 14.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 53.32 111.048 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 p -89.04 -17.05 30.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 74.109999999999999 111.168 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp 58.36 42.48 21.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 63.340000000000003 110.92 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.4 m -131.36 144.26 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 61.109999999999999 111.25 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -103.78 145.14 30.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 74.439999999999998 110.883 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.54 HG23 ' CG2' ' A' ' 6' ' ' ILE . 95.1 m -148.4 131.37 16.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.549999999999997 111.072 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -120.83 134.61 63.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 111.142 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -102.93 103.86 14.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.030000000000001 111.118 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 71.329999999999998 110.85 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 mtp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.844 0.354 . . . . 73.519999999999996 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 m -96.42 129.5 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 52.420000000000002 111.096 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.9 157.02 23.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 72.310000000000002 110.886 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -121.53 149.29 43.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 70.049999999999997 110.906 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.671 HD23 HG22 ' A' ' 16' ' ' THR . 44.1 tp -117.85 139.16 51.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 110.91 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.7 mm -126.93 109.44 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 64.219999999999999 111.038 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.722 ' CG2' HG21 ' A' ' 39' ' ' ILE . 79.3 mt -102.43 89.92 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 111.15 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -71.32 84.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 110.845 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.49 125.04 8.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 64.310000000000002 112.374 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -25.76 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 74.109999999999999 110.848 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -109.22 -33.06 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 73.099999999999994 111.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -154.23 113.19 3.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 72.219999999999999 110.986 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -80.69 159.69 25.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.209999999999994 110.9 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.96 174.17 30.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 64.409999999999997 112.482 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -176.69 157.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 73.450000000000003 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.671 HG22 HD23 ' A' ' 5' ' ' LEU . 14.8 t -171.36 163.67 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 65.299999999999997 111.156 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.2 p -128.29 158.26 38.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 54.32 111.152 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.469 HG22 HD21 ' A' ' 30' ' ' LEU . 5.2 t -161.06 135.43 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 64.430000000000007 111.148 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.69 127.13 32.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.93 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.664 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -144.65 175.48 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 111.035 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.12 -33.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 53.140000000000001 111.086 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -137.43 173.8 11.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.252 -0.431 . . . . 64.450000000000003 110.924 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.54 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 61.020000000000003 111.051 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.35 -36.78 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 61.030000000000001 111.077 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.664 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 26.2 m -57.79 -49.52 76.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 71.030000000000001 111.149 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -69.89 -39.59 76.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 75.329999999999998 111.112 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -52.05 -36.74 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.99 0.424 . . . . 75.420000000000002 110.931 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -57.55 -32.46 67.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 54.210000000000001 110.886 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.1 t -87.8 -40.02 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 111.176 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.473 HD22 ' HB2' ' A' ' 5' ' ' LEU . 59.6 mt -62.75 -52.31 63.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.126 -0.488 . . . . 71.109999999999999 110.888 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -52.52 -29.46 25.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 65.219999999999999 110.927 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -80.19 -37.74 32.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.230000000000004 110.958 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -57.63 -50.33 73.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 71.219999999999999 110.856 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.36 -52.33 54.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 65.099999999999994 111.047 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -51.87 -50.44 60.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 43.030000000000001 110.883 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -56.37 -29.33 61.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 53.140000000000001 110.874 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -85.95 -16.82 37.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 73.230000000000004 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.41 25.41 9.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 51.420000000000002 112.435 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.722 HG21 ' CG2' ' A' ' 7' ' ' ILE . 5.1 mp -118.31 121.86 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 75.239999999999995 111.155 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -157.61 127.45 6.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 75.150000000000006 110.858 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.48 -135.01 1.79 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.687 -0.768 . . . . 54.420000000000002 112.461 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -73.81 106.98 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 65.430000000000007 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CD2' HG22 ' A' ' 54' ' ' VAL . 35.9 m95 -92.26 128.29 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.030000000000001 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.6 p -130.54 137.6 49.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.225 -0.443 . . . . 65.030000000000001 111.078 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -121.22 139.81 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.892 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -112.91 130.58 56.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 72.219999999999999 110.881 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -90.16 -25.49 20.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.856 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.07 -39.08 23.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 53.32 111.048 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.6 p -97.08 -16.97 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.109999999999999 111.059 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp 58.31 42.97 20.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 63.340000000000003 110.895 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -135.43 144.28 46.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 61.109999999999999 111.16 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -104.68 136.27 44.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 74.439999999999998 110.904 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.2 m -130.39 129.81 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 71.549999999999997 111.178 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.404 HG22 ' CD2' ' A' ' 43' ' ' TRP . 21.9 t -113.53 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 74.400000000000006 111.136 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 m -88.36 103.95 16.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 74.030000000000001 111.143 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.709 ' HG3' HG23 ' A' ' 39' ' ' ILE . 1.6 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.329999999999998 110.913 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 73.519999999999996 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -86.8 131.93 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 52.420000000000002 111.144 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -109.29 162.73 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.310000000000002 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -129.21 130.66 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 70.049999999999997 110.897 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.644 ' HB2' HD22 ' A' ' 30' ' ' LEU . 27.5 tp -99.78 136.22 40.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 72.329999999999998 110.893 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.455 HG22 HG23 ' A' ' 53' ' ' THR . 21.7 mm -123.02 105.08 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.219999999999999 111.182 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.731 HG21 HD13 ' A' ' 39' ' ' ILE . 34.6 mt -99.87 89.92 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 72.239999999999995 111.09 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -72.48 80.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 72.239999999999995 110.906 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.26 119.99 6.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 64.310000000000002 112.474 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -27.94 69.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.37 . . . . 74.109999999999999 110.876 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -101.22 -31.96 10.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.099999999999994 111.17 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.8 tp -153.13 110.78 3.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 110.965 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -100.78 156.35 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.209999999999994 110.922 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.71 -177.7 38.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 64.409999999999997 112.498 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -163.4 151.49 13.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.397 . . . . 73.450000000000003 110.861 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.483 ' CG2' HD23 ' A' ' 5' ' ' LEU . 3.1 t -156.57 151.93 26.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 65.299999999999997 111.162 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 4' ' ' LYS . 61.1 p -124.02 148.34 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 54.32 111.11 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -148.1 138.13 22.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 64.430000000000007 111.131 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -72.28 129.01 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 73.5 110.883 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.644 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.15 168.23 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 74.439999999999998 111.078 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -102.46 -28.03 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 53.140000000000001 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -137.54 159.65 41.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 64.450000000000003 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.486 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -56.59 -25.92 54.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 61.020000000000003 111.088 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 -30.55 31.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 61.030000000000001 111.09 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.644 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 49.6 m -67.49 -44.03 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 71.030000000000001 111.139 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -75.74 -44.34 42.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.329999999999998 111.121 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -53.52 -29.03 34.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.420000000000002 110.869 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -60.72 -42.39 97.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 54.210000000000001 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -85.17 -38.1 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 74.140000000000001 111.092 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD22 ' HB2' ' A' ' 5' ' ' LEU . 97.3 mt -62.78 -49.08 76.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 71.109999999999999 110.915 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -57.54 -31.69 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 65.219999999999999 110.881 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -75.97 -35.22 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 72.230000000000004 110.905 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -63.44 -44.17 95.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.915 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.7 -50.73 33.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 65.099999999999994 111.074 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -54.3 -37.81 65.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 43.030000000000001 110.925 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.21 -26.42 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 53.140000000000001 110.905 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -99.97 22.01 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.230000000000004 110.886 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.22 39.65 94.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 51.420000000000002 112.493 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.731 HD13 HG21 ' A' ' 7' ' ' ILE . 75.6 mt -103.39 127.82 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.329 . . . . 75.239999999999995 111.109 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.46 130.6 10.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 75.150000000000006 110.873 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.73 -149.3 7.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 54.420000000000002 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -74.57 102.33 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 65.430000000000007 110.876 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -88.59 116.42 26.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.487 . . . . 73.030000000000001 110.906 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -114.58 160.6 19.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 65.030000000000001 111.124 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -147.36 137.1 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.430000000000007 110.87 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.63 132.1 56.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 72.219999999999999 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -89.84 -28.02 19.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.78 -54.88 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 53.32 111.075 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.7 p -84.81 -15.56 44.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 74.109999999999999 111.104 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 58.31 46.35 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 63.340000000000003 110.933 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.9 m -133.0 143.79 49.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 61.109999999999999 111.163 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 85.9 m-85 -106.11 135.33 47.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.439999999999998 110.895 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.455 HG23 HG22 ' A' ' 6' ' ' ILE . 91.1 m -134.49 130.46 36.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.549999999999997 111.118 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.27 111.16 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 111.093 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 m -86.51 100.07 12.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.030000000000001 111.122 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.537 ' CD ' HG23 ' A' ' 39' ' ' ILE . 21.1 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 71.329999999999998 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.4 mtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.869 0.366 . . . . 73.519999999999996 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 m -79.43 129.84 34.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 52.420000000000002 111.148 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -122.08 151.98 40.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 72.310000000000002 110.827 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.631 ' HA ' HG22 ' A' ' 17' ' ' THR . 5.7 ttmt -119.09 149.48 41.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 70.049999999999997 110.927 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.58 ' HB2' HD22 ' A' ' 30' ' ' LEU . 33.9 tp -118.25 135.69 54.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 72.329999999999998 110.915 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.746 ' CG2' HG23 ' A' ' 53' ' ' THR . 21.4 mm -121.46 104.98 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 64.219999999999999 111.133 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.838 HG21 HD13 ' A' ' 39' ' ' ILE . 43.5 mt -98.63 89.94 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 111.161 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -73.07 78.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 72.239999999999995 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.95 114.13 4.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 64.310000000000002 112.461 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -59.46 -30.99 68.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 74.109999999999999 110.933 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -96.5 -29.11 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 73.099999999999994 111.133 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tt -154.46 107.48 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.219999999999999 110.898 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -101.99 154.61 18.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 71.209999999999994 110.913 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.09 167.18 39.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 64.409999999999997 112.478 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -149.19 156.48 42.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 73.450000000000003 110.867 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -160.75 156.1 24.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 65.299999999999997 111.16 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 4' ' ' LYS . 80.4 p -126.16 153.07 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 54.32 111.153 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -150.42 136.55 18.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 64.430000000000007 111.126 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.49 120.18 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.5 110.948 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.623 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -134.5 177.68 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 111.068 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.7 m -101.17 -25.38 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 53.140000000000001 111.146 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -140.67 155.03 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 64.450000000000003 110.848 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.42 -31.78 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 61.020000000000003 111.138 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.32 -32.07 43.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.030000000000001 111.196 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.623 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 36.6 m -61.57 -42.68 99.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 71.030000000000001 111.086 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 -37.94 58.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 75.329999999999998 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.07 -34.84 70.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 75.420000000000002 110.87 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -57.67 -38.46 75.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 54.210000000000001 110.879 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.96 -43.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 111.108 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.58 HD22 ' HB2' ' A' ' 5' ' ' LEU . 60.4 mt -56.63 -46.2 81.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 71.109999999999999 110.947 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -61.18 -26.22 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 65.219999999999999 110.914 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -81.22 -37.64 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 72.230000000000004 110.775 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -57.28 -41.78 80.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 71.219999999999999 110.988 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.49 -45.45 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 65.099999999999994 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -54.74 -38.12 66.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 43.030000000000001 110.905 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.35 -26.16 64.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 53.140000000000001 110.899 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -99.03 22.02 10.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 110.882 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.17 39.97 95.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.677 -0.773 . . . . 51.420000000000002 112.504 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.838 HD13 HG21 ' A' ' 7' ' ' ILE . 60.6 mt -102.83 130.86 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.412 . . . . 75.239999999999995 111.062 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -157.25 129.64 7.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 75.150000000000006 110.872 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.3 -147.02 5.72 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.799 -0.715 . . . . 54.420000000000002 112.542 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -84.38 91.65 7.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 65.430000000000007 110.904 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -76.46 118.77 19.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.489 . . . . 73.030000000000001 110.941 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.64 162.99 15.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 65.030000000000001 111.187 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -150.13 147.6 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 75.430000000000007 111.004 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -124.81 135.94 53.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.797 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -90.23 -25.54 20.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.150000000000006 110.827 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.3 -50.85 11.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 53.32 111.132 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -86.69 -17.16 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 111.18 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp 58.28 42.6 21.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 63.340000000000003 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.8 m -128.75 144.34 51.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 61.109999999999999 111.082 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.69 132.77 50.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 110.89 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.746 HG23 ' CG2' ' A' ' 6' ' ' ILE . 16.5 m -137.8 119.38 14.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 71.549999999999997 111.204 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 54' ' ' VAL . 6.8 p -110.44 122.95 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 74.400000000000006 111.174 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -92.91 113.57 25.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 74.030000000000001 111.178 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 71.329999999999998 110.908 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tpt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.856 0.36 . . . . 73.519999999999996 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -99.5 112.93 25.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 52.420000000000002 111.196 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -108.16 148.72 29.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 72.310000000000002 110.816 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.433 ' HA ' HG22 ' A' ' 17' ' ' THR . 6.6 ttmt -118.2 143.63 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 70.049999999999997 110.876 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 30' ' ' LEU . 28.3 tp -111.59 135.24 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 72.329999999999998 110.895 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.6 mm -121.61 105.03 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 64.219999999999999 111.132 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.628 ' CG2' HG21 ' A' ' 39' ' ' ILE . 53.8 mt -99.15 89.9 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.432 . . . . 72.239999999999995 111.116 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -72.42 79.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 72.239999999999995 110.938 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.62 125.97 8.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 64.310000000000002 112.517 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -66.91 -31.44 72.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 74.109999999999999 110.941 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.4 p -94.0 -33.02 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.099999999999994 111.142 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -154.38 119.11 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 72.219999999999999 110.972 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -105.59 151.64 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 71.209999999999994 110.914 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.98 -179.48 40.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 64.409999999999997 112.493 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.89 159.11 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 73.450000000000003 110.886 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -162.05 154.87 20.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 111.194 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 4' ' ' LYS . 32.2 p -124.05 158.83 31.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 54.32 111.133 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.436 HG22 HD21 ' A' ' 30' ' ' LEU . 3.9 t -158.26 129.37 6.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 64.430000000000007 111.163 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.44 121.29 17.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 73.5 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.668 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -138.07 177.25 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 74.439999999999998 111.123 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -107.52 -26.86 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 53.140000000000001 111.152 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -138.24 163.68 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 64.450000000000003 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.27 65.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 61.020000000000003 111.149 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.03 24.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 61.030000000000001 111.16 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.668 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 19.8 m -53.99 -47.72 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 71.030000000000001 111.132 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -73.32 -46.33 50.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.329999999999998 111.093 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -53.14 -30.29 36.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 75.420000000000002 110.913 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -60.32 -38.56 84.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 54.210000000000001 110.929 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.41 -39.64 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 74.140000000000001 111.133 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.563 ' HB3' HD22 ' A' ' 5' ' ' LEU . 79.5 mt -63.02 -51.26 67.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 71.109999999999999 110.86 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -53.58 -28.37 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 65.219999999999999 110.869 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.83 -41.12 21.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 72.230000000000004 110.904 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -52.06 -55.12 22.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 111.052 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.69 78.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 65.099999999999994 111.099 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -52.06 -50.84 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 43.030000000000001 110.887 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.92 -40.09 75.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 53.140000000000001 110.854 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -72.09 -17.41 61.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 110.822 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.33 25.38 9.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 51.420000000000002 112.583 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.628 HG21 ' CG2' ' A' ' 7' ' ' ILE . 5.2 mp -118.38 121.49 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 75.239999999999995 111.173 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.59 125.02 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 75.150000000000006 110.847 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.86 -133.43 1.48 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 54.420000000000002 112.495 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.33 100.64 3.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.795 0.331 . . . . 65.430000000000007 110.909 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -88.28 122.38 31.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 73.030000000000001 110.873 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -117.26 162.15 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 65.030000000000001 111.115 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -147.46 134.8 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.902 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.02 131.39 55.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 72.219999999999999 110.884 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -90.03 -25.48 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.150000000000006 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.63 -42.0 18.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 53.32 111.181 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -93.4 -17.57 23.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 74.109999999999999 111.094 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp 58.3 40.09 24.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 63.340000000000003 110.938 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.5 m -129.56 144.39 51.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 61.109999999999999 111.143 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -108.02 134.27 51.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 110.841 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.7 m -131.34 130.71 43.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 71.549999999999997 111.128 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.437 HG12 ' OE1' ' A' ' 56' ' ' GLU . 21.6 t -113.86 112.88 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 111.189 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.7 m -90.34 108.35 19.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.030000000000001 111.065 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' OE1' HG12 ' A' ' 54' ' ' VAL . 3.2 mp0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 71.329999999999998 110.954 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mtm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.91 0.386 . . . . 73.519999999999996 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.4 m -92.02 138.85 31.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 52.420000000000002 111.131 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -113.4 157.38 21.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 72.310000000000002 110.857 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HG3' HG22 ' A' ' 17' ' ' THR . 8.3 tttt -131.97 141.43 49.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 70.049999999999997 110.837 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 6' ' ' ILE . 2.7 tt -113.08 139.08 49.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 110.928 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.649 ' N ' HD23 ' A' ' 5' ' ' LEU . 20.6 mm -120.29 104.56 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 64.219999999999999 111.118 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.746 HG21 HD13 ' A' ' 39' ' ' ILE . 40.7 mt -95.88 89.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 72.239999999999995 111.148 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -74.0 75.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.239999999999995 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.14 118.03 6.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 64.310000000000002 112.457 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.626 ' HD2' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -59.59 -27.3 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 74.109999999999999 110.93 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.626 HG23 ' HD2' ' A' ' 10' ' ' LYS . 1.1 p -86.41 -45.14 11.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 73.099999999999994 111.125 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.35 112.72 3.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 72.219999999999999 110.939 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -84.76 153.83 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 71.209999999999994 110.931 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.7 163.02 36.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.668 -0.777 . . . . 64.409999999999997 112.47 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.54 ' HG2' HD13 ' A' ' 6' ' ' ILE . 80.4 mt-10 -144.52 167.67 21.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.994 0.426 . . . . 73.450000000000003 110.865 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.425 HG22 ' HB3' ' A' ' 5' ' ' LEU . 9.8 t -158.81 167.22 30.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 65.299999999999997 111.114 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.412 HG22 ' HG3' ' A' ' 4' ' ' LYS . 71.3 p -143.3 160.34 40.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 54.32 111.143 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -164.13 140.84 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 64.430000000000007 111.161 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -78.5 127.23 31.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 73.5 110.864 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.598 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -147.62 175.26 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 111.132 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 m -109.99 -27.91 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 53.140000000000001 111.096 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -134.35 169.35 17.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 64.450000000000003 110.835 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.14 79.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 61.020000000000003 111.078 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.48 -27.48 56.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 61.030000000000001 111.152 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.598 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 49.9 m -65.15 -49.83 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 71.030000000000001 111.087 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -75.18 -36.79 61.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 75.329999999999998 111.096 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.04 -35.29 46.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 75.420000000000002 110.911 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -36.19 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 54.210000000000001 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.02 -48.89 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.140000000000001 111.051 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.593 HD23 ' HG ' ' A' ' 5' ' ' LEU . 4.4 mp -53.71 -41.29 66.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 71.109999999999999 110.804 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -68.52 -28.4 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.409 . . . . 65.219999999999999 110.899 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -81.48 -30.85 33.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 72.230000000000004 110.924 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -63.77 -45.06 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 71.219999999999999 110.914 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.652 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -77.69 -47.69 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 65.099999999999994 111.096 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -56.59 -42.33 78.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 43.030000000000001 110.879 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -53.64 -33.16 54.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 53.140000000000001 110.914 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.07 -18.21 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 110.942 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.96 31.12 7.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.792 -0.718 . . . . 51.420000000000002 112.486 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.746 HD13 HG21 ' A' ' 7' ' ' ILE . 65.6 mt -87.08 132.32 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.327 . . . . 75.239999999999995 111.133 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -151.35 129.7 12.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 75.150000000000006 110.882 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.34 -149.94 8.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 54.420000000000002 112.438 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -80.1 93.81 5.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.906 0.384 . . . . 65.430000000000007 110.993 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -79.38 125.75 29.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 73.030000000000001 110.898 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -128.39 130.45 47.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 65.030000000000001 111.141 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -120.7 138.24 54.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 75.430000000000007 110.948 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.06 134.69 54.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 72.219999999999999 110.866 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -90.11 -25.84 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 74.150000000000006 110.785 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.58 -53.56 8.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 53.32 111.131 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.8 p -85.72 -16.16 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 74.109999999999999 111.162 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt 58.31 45.36 17.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 63.340000000000003 110.88 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -134.48 143.83 47.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 61.109999999999999 111.182 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -101.97 152.57 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.912 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.508 HG23 ' CG2' ' A' ' 6' ' ' ILE . 95.7 m -156.96 109.05 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 71.549999999999997 111.156 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 54' ' ' VAL . 6.7 p -99.52 123.04 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 74.400000000000006 111.111 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -91.27 109.41 20.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 111.1 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.495 ' CD ' HG23 ' A' ' 39' ' ' ILE . 11.5 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 71.329999999999998 110.893 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.936 0.398 . . . . 73.519999999999996 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 m -81.08 120.52 24.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 52.420000000000002 111.112 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -114.01 150.45 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 72.310000000000002 110.853 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -121.67 146.3 47.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 70.049999999999997 110.959 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 6' ' ' ILE . 2.2 tt -116.36 130.23 56.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 72.329999999999998 110.932 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.577 ' N ' HD23 ' A' ' 5' ' ' LEU . 20.6 mm -113.32 104.26 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 64.219999999999999 111.17 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.712 HG21 HD13 ' A' ' 39' ' ' ILE . 45.5 mt -94.96 89.94 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 72.239999999999995 111.153 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -73.82 75.92 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 72.239999999999995 110.886 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.78 116.53 5.33 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.83 -0.7 . . . . 64.310000000000002 112.554 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -25.94 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.349 . . . . 74.109999999999999 110.866 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -111.92 -32.61 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 73.099999999999994 111.071 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 tp -133.02 94.38 3.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 72.219999999999999 110.97 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -102.98 154.75 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 71.209999999999994 110.943 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.33 177.45 41.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 64.409999999999997 112.499 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -145.83 162.19 38.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.967 0.413 . . . . 73.450000000000003 110.817 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 t -158.28 156.97 31.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 65.299999999999997 111.156 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 p -136.38 155.1 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 54.32 111.213 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -155.63 121.76 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 111.126 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 116.24 12.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.5 110.893 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.71 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -131.58 175.0 9.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.529 . . . . 74.439999999999998 111.065 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.4 m -89.97 -30.6 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 53.140000000000001 111.109 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -141.15 174.12 10.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 64.450000000000003 110.784 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.77 -26.22 66.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 61.020000000000003 111.099 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.46 -28.49 31.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.412 . . . . 61.030000000000001 111.048 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.71 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 23.6 m -69.71 -41.94 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 71.030000000000001 111.162 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -76.5 -39.68 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 75.329999999999998 111.052 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -52.06 -38.25 56.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 75.420000000000002 110.881 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -52.96 -41.42 64.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 54.210000000000001 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.78 -39.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 74.140000000000001 111.089 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 5' ' ' LEU . 91.7 mt -56.3 -46.37 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 71.109999999999999 110.974 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -64.67 -32.48 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 65.219999999999999 110.866 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -73.74 -30.14 62.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 72.230000000000004 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -67.01 -46.82 73.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 71.219999999999999 110.923 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' HA ' HD12 ' A' ' 39' ' ' ILE . . . -70.05 -52.87 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 65.099999999999994 111.092 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -53.72 -37.24 63.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 43.030000000000001 110.872 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.63 -26.3 63.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 53.140000000000001 110.787 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -98.31 22.0 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 110.895 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.99 20.32 53.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 51.420000000000002 112.469 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.712 HD13 HG21 ' A' ' 7' ' ' ILE . 78.8 mt -78.17 131.95 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 75.239999999999995 111.17 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -143.14 127.05 17.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 75.150000000000006 110.816 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.57 -158.0 20.3 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.734 -0.745 . . . . 54.420000000000002 112.49 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -90.31 126.66 35.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 65.430000000000007 110.927 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.477 ' CD2' HG22 ' A' ' 54' ' ' VAL . 39.6 m95 -96.11 129.23 43.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.128 -0.487 . . . . 73.030000000000001 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.9 p -122.81 131.03 53.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 65.030000000000001 111.171 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -117.51 134.55 54.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.918 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -116.12 129.83 56.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 72.219999999999999 110.921 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.11 -24.24 21.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.821 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.73 -29.3 62.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 53.32 111.079 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 p -116.06 -13.09 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 74.109999999999999 111.169 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt 58.35 44.45 18.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 63.340000000000003 110.936 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.8 m -137.05 149.49 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 61.109999999999999 111.233 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -105.95 153.35 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 74.439999999999998 110.836 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.8 m -146.38 109.02 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.549999999999997 111.193 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.477 HG22 ' CD2' ' A' ' 43' ' ' TRP . 21.8 t -93.06 107.79 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 111.139 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.5 m -88.74 103.73 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 74.030000000000001 111.205 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' OE2' HG12 ' A' ' 54' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.329999999999998 110.823 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.916 0.389 . . . . 73.519999999999996 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -80.15 133.53 36.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 52.420000000000002 111.155 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -117.05 156.87 26.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 72.310000000000002 110.862 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -123.09 146.76 47.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 70.049999999999997 110.919 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.571 HD23 ' CG2' ' A' ' 16' ' ' THR . 26.2 tp -116.08 136.08 53.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.329999999999998 110.933 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.635 ' CG2' HG23 ' A' ' 53' ' ' THR . 20.5 mm -121.33 105.75 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 64.219999999999999 111.122 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mt -96.16 89.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 72.239999999999995 111.146 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -74.87 74.97 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.07 131.46 10.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 64.310000000000002 112.546 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -56.68 -24.9 52.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.818 0.342 . . . . 74.109999999999999 110.841 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -126.22 -37.23 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 111.161 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.34 96.78 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.219999999999999 110.912 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.96 139.26 49.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 71.209999999999994 110.915 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.28 -156.8 14.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 64.409999999999997 112.497 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -169.57 156.03 6.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.881 0.372 . . . . 73.450000000000003 110.858 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.571 ' CG2' HD23 ' A' ' 5' ' ' LEU . 3.0 t -155.78 150.74 26.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 65.299999999999997 111.083 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.8 p -120.59 157.7 28.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 54.32 111.143 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -155.54 127.94 7.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 64.430000000000007 111.123 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -71.44 124.14 23.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 73.5 110.885 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -142.79 -178.9 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 111.056 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.0 m -109.2 -28.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 53.140000000000001 111.058 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -139.06 170.47 15.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.252 -0.431 . . . . 64.450000000000003 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.53 -33.82 75.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 61.020000000000003 111.109 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.7 -26.47 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 61.030000000000001 111.057 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.723 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 23.7 m -68.93 -47.13 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 71.030000000000001 111.146 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -73.47 -44.45 57.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.329999999999998 111.047 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -53.84 -33.24 55.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.420000000000002 110.96 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -58.24 -40.84 82.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 54.210000000000001 110.927 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.28 -44.26 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 111.159 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' A' ' 5' ' ' LEU . 75.1 mt -56.66 -47.42 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 71.109999999999999 110.899 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -63.21 -30.27 71.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 65.219999999999999 110.899 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -74.9 -31.47 61.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.915 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -67.93 -41.6 82.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 71.219999999999999 110.913 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -75.28 -44.87 43.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 65.099999999999994 111.08 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -55.02 -41.7 71.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 43.030000000000001 110.824 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.61 -27.93 52.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 53.140000000000001 110.912 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -90.52 -18.16 25.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 73.230000000000004 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.96 30.73 6.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 51.420000000000002 112.499 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.482 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 56.4 mt -89.62 133.36 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 75.239999999999995 111.178 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -157.31 128.45 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.150000000000006 110.868 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.83 -137.07 2.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 54.420000000000002 112.464 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -90.63 96.0 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 65.430000000000007 110.952 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -84.03 116.4 22.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 73.030000000000001 110.962 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 p -110.53 174.3 5.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 65.030000000000001 111.194 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -158.18 144.42 17.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 75.430000000000007 110.909 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.36 131.98 56.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 72.219999999999999 110.869 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -90.09 -25.42 20.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 74.150000000000006 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.02 -43.01 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 53.32 111.103 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -92.07 -17.9 24.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.109999999999999 111.128 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 58.35 41.56 22.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 63.340000000000003 110.923 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.9 m -128.33 144.33 51.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.414 . . . . 61.109999999999999 111.11 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -103.42 145.08 30.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 110.817 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.635 HG23 ' CG2' ' A' ' 6' ' ' ILE . 25.8 m -148.33 127.61 13.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 71.549999999999997 111.155 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.56 124.57 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 74.400000000000006 111.151 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -98.04 111.77 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.030000000000001 111.114 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 71.329999999999998 110.894 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.899 0.38 . . . . 73.519999999999996 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m -102.87 144.89 30.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 52.420000000000002 111.09 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -128.55 157.66 40.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 110.876 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -129.95 144.49 51.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 70.049999999999997 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.625 HD23 ' N ' ' A' ' 6' ' ' ILE . 3.0 tt -115.14 131.03 57.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 72.329999999999998 110.941 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.64 ' CG2' HG23 ' A' ' 53' ' ' THR . 20.3 mm -112.4 104.4 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 64.219999999999999 111.138 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.809 HG23 HG21 ' A' ' 39' ' ' ILE . 52.7 mt -94.13 90.01 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 72.239999999999995 111.179 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -74.3 75.69 1.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 72.239999999999995 110.917 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.03 131.3 10.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 64.310000000000002 112.453 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -26.07 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 74.109999999999999 110.946 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 t -104.49 -26.58 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 73.099999999999994 111.107 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tt -153.55 113.34 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 72.219999999999999 110.871 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -109.53 153.7 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 71.209999999999994 110.883 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.59 -173.2 39.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 64.409999999999997 112.439 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -154.75 162.37 41.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 73.450000000000003 110.911 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 5' ' ' LEU . 10.2 t -157.34 165.46 35.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 65.299999999999997 111.15 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 p -143.07 160.15 40.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 54.32 111.129 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.549 HG22 HD21 ' A' ' 30' ' ' LEU . 2.2 t -166.13 125.55 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 64.430000000000007 111.185 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -70.28 129.08 38.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.827 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.588 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -144.78 170.79 15.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 111.17 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.7 m -91.02 -31.13 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 53.140000000000001 111.122 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -141.83 162.17 36.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 64.450000000000003 110.946 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.25 68.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.259 -0.428 . . . . 61.020000000000003 111.052 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.18 63.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 61.030000000000001 111.189 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.588 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 59.7 m -69.65 -45.94 67.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 71.030000000000001 111.151 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -77.99 -41.78 34.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.127 -0.488 . . . . 75.329999999999998 111.151 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -52.07 -30.64 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.420000000000002 110.851 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -62.93 -45.43 92.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 54.210000000000001 110.967 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.9 t -80.41 -33.8 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 74.140000000000001 111.17 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.562 HD22 ' HB2' ' A' ' 5' ' ' LEU . 92.2 mt -64.69 -55.89 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 71.109999999999999 110.896 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -53.44 -31.08 43.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 65.219999999999999 110.92 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -74.63 -38.99 62.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 72.230000000000004 110.938 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.11 -52.57 50.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 71.219999999999999 110.908 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.89 80.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 65.099999999999994 111.123 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -51.91 -54.09 33.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 43.030000000000001 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -55.82 -35.85 66.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 53.140000000000001 110.87 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.72 -17.59 59.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 73.230000000000004 110.89 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.49 24.63 9.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 51.420000000000002 112.47 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.809 HG21 HG23 ' A' ' 7' ' ' ILE . 5.2 mp -118.36 116.51 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 75.239999999999995 111.12 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.59 124.92 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 75.150000000000006 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.76 -128.05 0.99 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.781 -0.723 . . . . 54.420000000000002 112.527 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -71.48 92.82 1.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.796 0.331 . . . . 65.430000000000007 110.862 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.431 ' HH2' HD11 ' A' ' 5' ' ' LEU . 30.3 m95 -87.74 126.52 35.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.030000000000001 110.962 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -128.42 131.67 48.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 65.030000000000001 111.198 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -118.41 145.87 44.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.411 . . . . 75.430000000000007 110.899 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.29 132.37 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 72.219999999999999 110.814 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.12 -25.45 20.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.150000000000006 110.87 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.66 -39.86 21.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 53.32 111.053 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.7 p -95.77 -17.35 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 74.109999999999999 111.157 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 58.32 41.4 23.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 63.340000000000003 110.961 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -133.42 142.29 48.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 61.109999999999999 111.089 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -98.53 153.38 18.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 74.439999999999998 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.64 HG23 ' CG2' ' A' ' 6' ' ' ILE . 34.5 m -154.91 109.02 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.549999999999997 111.125 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 p -98.72 131.18 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.145 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -105.95 114.26 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 74.030000000000001 111.132 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' CD ' HG23 ' A' ' 39' ' ' ILE . 5.6 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 71.329999999999998 110.83 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 mtm . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.895 0.379 . . . . 73.519999999999996 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 m -78.05 133.19 37.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 52.420000000000002 111.185 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -127.66 151.69 48.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.310000000000002 110.928 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -118.93 144.82 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 70.049999999999997 110.863 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.587 HD23 ' CG2' ' A' ' 16' ' ' THR . 42.5 tp -112.96 135.65 53.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.329999999999998 110.942 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 mm -122.28 109.37 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 64.219999999999999 111.149 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.604 ' CG2' HG21 ' A' ' 39' ' ' ILE . 57.0 mt -102.28 89.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 72.239999999999995 111.148 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -71.44 81.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.239999999999995 110.87 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.63 127.69 8.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.897 -0.668 . . . . 64.310000000000002 112.466 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.88 -26.73 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 74.109999999999999 110.912 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.4 t -102.33 -26.6 13.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 73.099999999999994 111.245 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.36 112.82 3.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 110.95 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -108.58 155.23 20.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 71.209999999999994 110.867 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.58 -171.32 40.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 64.409999999999997 112.529 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -165.53 159.3 16.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 73.450000000000003 110.796 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.587 ' CG2' HD23 ' A' ' 5' ' ' LEU . 3.7 t -157.17 157.59 34.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 65.299999999999997 111.07 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.4 p -131.03 145.85 52.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 54.32 111.119 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.545 HG23 ' HB1' ' A' ' 26' ' ' ALA . 4.7 t -145.16 119.5 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 64.430000000000007 111.157 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -74.08 108.01 6.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.743 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -125.3 174.71 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 111.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 m -85.44 -25.67 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 53.140000000000001 111.138 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -149.87 162.53 40.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.450000000000003 110.839 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.65 -37.5 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 61.020000000000003 111.071 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -36.27 74.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 61.030000000000001 111.127 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.559 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 21.4 m -68.8 -37.0 78.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 71.030000000000001 111.198 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.743 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -80.62 -45.16 17.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 111.138 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.33 -33.61 54.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 75.420000000000002 110.92 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -51.94 -36.59 49.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 54.210000000000001 110.96 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.13 -33.85 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.140000000000001 111.151 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 5' ' ' LEU . 61.5 mt -60.33 -51.97 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 71.109999999999999 110.971 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -54.52 -32.13 57.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 65.219999999999999 110.951 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -74.97 -36.36 62.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.230000000000004 110.931 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.466 ' CG ' HG21 ' A' ' 16' ' ' THR . 24.4 t80 -56.23 -50.26 71.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 71.219999999999999 110.949 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.88 37.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 65.099999999999994 111.033 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -51.94 -51.69 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 43.030000000000001 110.893 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.61 -30.06 60.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 53.140000000000001 110.983 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -86.88 -17.78 32.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.001 -0.545 . . . . 73.230000000000004 110.875 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.28 27.11 8.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.854 -0.689 . . . . 51.420000000000002 112.555 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.604 HG21 ' CG2' ' A' ' 7' ' ' ILE . 3.6 mp -118.33 122.5 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.337 . . . . 75.239999999999995 111.153 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -157.41 127.26 6.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 75.150000000000006 110.904 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -168.34 -132.6 1.44 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.733 -0.746 . . . . 54.420000000000002 112.52 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.1 103.01 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 65.430000000000007 110.934 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -90.42 117.37 29.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 73.030000000000001 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.76 162.59 16.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 65.030000000000001 111.124 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -150.71 136.73 18.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 75.430000000000007 110.934 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -115.34 136.06 53.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 72.219999999999999 110.93 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -90.18 -25.63 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 74.150000000000006 110.809 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.97 -54.46 6.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 53.32 111.058 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -84.74 -16.37 41.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 74.109999999999999 111.074 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm 58.38 43.22 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 63.340000000000003 110.962 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.4 m -131.11 144.38 51.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 61.109999999999999 111.151 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.82 134.9 47.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 74.439999999999998 110.863 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -130.74 127.56 39.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 71.549999999999997 111.081 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.87 110.07 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.400000000000006 111.125 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 m -89.55 104.93 17.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.030000000000001 111.16 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.536 ' CD ' HG23 ' A' ' 39' ' ' ILE . 3.8 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 71.329999999999998 110.857 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.904 0.383 . . . . 73.519999999999996 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.1 125.91 26.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 52.420000000000002 111.074 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -104.09 168.55 9.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.310000000000002 110.803 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' HA ' HG22 ' A' ' 17' ' ' THR . 19.1 tttt -130.82 149.68 52.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.073 -0.512 . . . . 70.049999999999997 110.938 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 30' ' ' LEU . 58.7 tp -124.52 144.28 50.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.405 . . . . 72.329999999999998 110.947 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.54 ' CG2' HG23 ' A' ' 53' ' ' THR . 19.5 mm -126.99 109.42 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 64.219999999999999 111.124 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.822 HG21 HD13 ' A' ' 39' ' ' ILE . 61.8 mt -100.99 89.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 72.239999999999995 111.08 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -73.33 77.24 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 72.239999999999995 110.846 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.21 125.32 6.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 64.310000000000002 112.475 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -25.89 68.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 74.109999999999999 110.863 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t -112.73 -33.29 6.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 73.099999999999994 111.206 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tt -154.44 111.83 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 72.219999999999999 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -85.1 166.07 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 71.209999999999994 110.809 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.1 -166.44 12.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 64.409999999999997 112.505 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -179.38 158.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 73.450000000000003 110.809 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.592 ' CG2' HD23 ' A' ' 5' ' ' LEU . 1.8 t -174.87 148.3 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 65.299999999999997 111.13 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 4' ' ' LYS . 39.5 p -126.01 137.88 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 54.32 111.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.423 HG22 HD21 ' A' ' 30' ' ' LEU . 9.7 t -152.22 127.38 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 64.430000000000007 111.175 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -70.05 142.82 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 73.5 110.932 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.764 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -155.91 174.19 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.439999999999998 111.097 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.31 -25.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 53.140000000000001 111.135 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -137.66 167.0 22.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 64.450000000000003 110.813 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.45 74.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 61.020000000000003 111.086 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.66 -33.56 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 61.030000000000001 111.059 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.764 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 19.9 m -54.68 -49.31 70.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 71.030000000000001 111.12 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -75.45 -41.79 54.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.329999999999998 111.007 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -53.39 -28.61 30.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 75.420000000000002 110.911 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -57.88 -44.35 86.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 54.210000000000001 110.908 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.61 -34.36 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 111.082 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.743 ' HB3' HD22 ' A' ' 5' ' ' LEU . 95.3 mt -63.13 -48.66 77.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.109999999999999 110.917 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.09 -32.55 71.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 65.219999999999999 110.835 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -70.08 -37.25 75.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 110.981 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.4 -41.85 98.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 71.219999999999999 110.911 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HA ' HD12 ' A' ' 39' ' ' ILE . . . -79.0 -44.62 21.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 65.099999999999994 111.035 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -55.99 -40.76 73.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 43.030000000000001 110.829 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.81 -26.37 57.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 53.140000000000001 110.873 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -100.3 21.97 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.35 36.86 90.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 51.420000000000002 112.451 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.822 HD13 HG21 ' A' ' 7' ' ' ILE . 71.2 mt -98.39 129.71 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 75.239999999999995 111.091 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -157.63 131.98 8.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 75.150000000000006 110.854 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.12 -152.74 9.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.819 -0.705 . . . . 54.420000000000002 112.576 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -78.7 92.01 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 65.430000000000007 110.916 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -78.63 131.56 36.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.030000000000001 110.898 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.0 p -133.81 174.48 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.030000000000001 111.251 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -158.57 157.54 32.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.271 -0.422 . . . . 75.430000000000007 110.843 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -127.09 139.04 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 72.219999999999999 110.78 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -90.13 -25.2 20.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 74.150000000000006 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.64 -48.64 14.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 53.32 111.048 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 p -89.04 -17.05 30.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 74.109999999999999 111.168 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp 58.36 42.48 21.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 63.340000000000003 110.92 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.4 m -131.36 144.26 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 61.109999999999999 111.25 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -103.78 145.14 30.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 74.439999999999998 110.883 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.54 HG23 ' CG2' ' A' ' 6' ' ' ILE . 95.1 m -148.4 131.37 16.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.549999999999997 111.072 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -120.83 134.61 63.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 111.142 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -102.93 103.86 14.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.030000000000001 111.118 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 71.329999999999998 110.85 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 mtp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.844 0.354 . . . . 73.519999999999996 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 m -96.42 129.5 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 52.420000000000002 111.096 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.9 157.02 23.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 72.310000000000002 110.886 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -121.53 149.29 43.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 70.049999999999997 110.906 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.671 HD23 HG22 ' A' ' 16' ' ' THR . 44.1 tp -117.85 139.16 51.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 110.91 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.7 mm -126.93 109.44 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 64.219999999999999 111.038 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.722 ' CG2' HG21 ' A' ' 39' ' ' ILE . 79.3 mt -102.43 89.92 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 111.15 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -71.32 84.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 110.845 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.49 125.04 8.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 64.310000000000002 112.374 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -25.76 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 74.109999999999999 110.848 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -109.22 -33.06 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 73.099999999999994 111.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -154.23 113.19 3.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 72.219999999999999 110.986 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -80.69 159.69 25.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.209999999999994 110.9 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.96 174.17 30.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 64.409999999999997 112.482 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -176.69 157.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 73.450000000000003 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.671 HG22 HD23 ' A' ' 5' ' ' LEU . 14.8 t -171.36 163.67 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 65.299999999999997 111.156 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.2 p -128.29 158.26 38.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 54.32 111.152 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.469 HG22 HD21 ' A' ' 30' ' ' LEU . 5.2 t -161.06 135.43 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 64.430000000000007 111.148 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.69 127.13 32.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.93 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.664 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -144.65 175.48 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 111.035 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.12 -33.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 53.140000000000001 111.086 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -137.43 173.8 11.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.252 -0.431 . . . . 64.450000000000003 110.924 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.54 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 61.020000000000003 111.051 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.35 -36.78 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 61.030000000000001 111.077 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.664 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 26.2 m -57.79 -49.52 76.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 71.030000000000001 111.149 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -69.89 -39.59 76.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 75.329999999999998 111.112 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -52.05 -36.74 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.99 0.424 . . . . 75.420000000000002 110.931 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -57.55 -32.46 67.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 54.210000000000001 110.886 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.1 t -87.8 -40.02 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 111.176 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.473 HD22 ' HB2' ' A' ' 5' ' ' LEU . 59.6 mt -62.75 -52.31 63.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.126 -0.488 . . . . 71.109999999999999 110.888 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -52.52 -29.46 25.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 65.219999999999999 110.927 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -80.19 -37.74 32.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.230000000000004 110.958 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -57.63 -50.33 73.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 71.219999999999999 110.856 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.36 -52.33 54.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 65.099999999999994 111.047 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -51.87 -50.44 60.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 43.030000000000001 110.883 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -56.37 -29.33 61.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 53.140000000000001 110.874 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -85.95 -16.82 37.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 73.230000000000004 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.41 25.41 9.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 51.420000000000002 112.435 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.722 HG21 ' CG2' ' A' ' 7' ' ' ILE . 5.1 mp -118.31 121.86 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 75.239999999999995 111.155 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -157.61 127.45 6.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 75.150000000000006 110.858 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.48 -135.01 1.79 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.687 -0.768 . . . . 54.420000000000002 112.461 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -73.81 106.98 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 65.430000000000007 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CD2' HG22 ' A' ' 54' ' ' VAL . 35.9 m95 -92.26 128.29 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.030000000000001 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.6 p -130.54 137.6 49.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.225 -0.443 . . . . 65.030000000000001 111.078 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -121.22 139.81 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.892 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -112.91 130.58 56.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 72.219999999999999 110.881 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -90.16 -25.49 20.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.856 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.07 -39.08 23.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 53.32 111.048 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.6 p -97.08 -16.97 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.109999999999999 111.059 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp 58.31 42.97 20.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 63.340000000000003 110.895 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -135.43 144.28 46.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 61.109999999999999 111.16 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -104.68 136.27 44.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 74.439999999999998 110.904 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.2 m -130.39 129.81 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 71.549999999999997 111.178 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.404 HG22 ' CD2' ' A' ' 43' ' ' TRP . 21.9 t -113.53 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 74.400000000000006 111.136 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 m -88.36 103.95 16.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 74.030000000000001 111.143 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.709 ' HG3' HG23 ' A' ' 39' ' ' ILE . 1.6 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.329999999999998 110.913 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 73.519999999999996 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -86.8 131.93 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 52.420000000000002 111.144 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -109.29 162.73 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.310000000000002 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -129.21 130.66 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 70.049999999999997 110.897 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.644 ' HB2' HD22 ' A' ' 30' ' ' LEU . 27.5 tp -99.78 136.22 40.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 72.329999999999998 110.893 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.455 HG22 HG23 ' A' ' 53' ' ' THR . 21.7 mm -123.02 105.08 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.219999999999999 111.182 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.731 HG21 HD13 ' A' ' 39' ' ' ILE . 34.6 mt -99.87 89.92 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 72.239999999999995 111.09 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -72.48 80.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 72.239999999999995 110.906 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.26 119.99 6.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 64.310000000000002 112.474 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -27.94 69.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.37 . . . . 74.109999999999999 110.876 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -101.22 -31.96 10.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.099999999999994 111.17 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.8 tp -153.13 110.78 3.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 110.965 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -100.78 156.35 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.209999999999994 110.922 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.71 -177.7 38.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 64.409999999999997 112.498 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -163.4 151.49 13.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.397 . . . . 73.450000000000003 110.861 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.483 ' CG2' HD23 ' A' ' 5' ' ' LEU . 3.1 t -156.57 151.93 26.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 65.299999999999997 111.162 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 4' ' ' LYS . 61.1 p -124.02 148.34 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 54.32 111.11 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -148.1 138.13 22.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 64.430000000000007 111.131 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -72.28 129.01 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 73.5 110.883 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.644 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.15 168.23 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 74.439999999999998 111.078 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -102.46 -28.03 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 53.140000000000001 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -137.54 159.65 41.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 64.450000000000003 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.486 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -56.59 -25.92 54.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 61.020000000000003 111.088 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 -30.55 31.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 61.030000000000001 111.09 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.644 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 49.6 m -67.49 -44.03 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 71.030000000000001 111.139 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -75.74 -44.34 42.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.329999999999998 111.121 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -53.52 -29.03 34.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.420000000000002 110.869 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -60.72 -42.39 97.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 54.210000000000001 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -85.17 -38.1 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 74.140000000000001 111.092 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD22 ' HB2' ' A' ' 5' ' ' LEU . 97.3 mt -62.78 -49.08 76.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 71.109999999999999 110.915 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -57.54 -31.69 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 65.219999999999999 110.881 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -75.97 -35.22 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 72.230000000000004 110.905 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -63.44 -44.17 95.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.915 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.7 -50.73 33.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 65.099999999999994 111.074 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -54.3 -37.81 65.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 43.030000000000001 110.925 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.21 -26.42 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 53.140000000000001 110.905 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -99.97 22.01 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.230000000000004 110.886 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.22 39.65 94.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 51.420000000000002 112.493 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.731 HD13 HG21 ' A' ' 7' ' ' ILE . 75.6 mt -103.39 127.82 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.329 . . . . 75.239999999999995 111.109 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.46 130.6 10.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 75.150000000000006 110.873 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.73 -149.3 7.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 54.420000000000002 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -74.57 102.33 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 65.430000000000007 110.876 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -88.59 116.42 26.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.487 . . . . 73.030000000000001 110.906 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -114.58 160.6 19.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 65.030000000000001 111.124 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -147.36 137.1 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.430000000000007 110.87 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.63 132.1 56.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 72.219999999999999 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -89.84 -28.02 19.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.78 -54.88 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 53.32 111.075 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.7 p -84.81 -15.56 44.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 74.109999999999999 111.104 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 58.31 46.35 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 63.340000000000003 110.933 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.9 m -133.0 143.79 49.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 61.109999999999999 111.163 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.486 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 85.9 m-85 -106.11 135.33 47.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.439999999999998 110.895 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.455 HG23 HG22 ' A' ' 6' ' ' ILE . 91.1 m -134.49 130.46 36.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.549999999999997 111.118 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.27 111.16 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 111.093 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 m -86.51 100.07 12.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.030000000000001 111.122 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.537 ' CD ' HG23 ' A' ' 39' ' ' ILE . 21.1 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 71.329999999999998 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.4 mtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.869 0.366 . . . . 73.519999999999996 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 m -79.43 129.84 34.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 52.420000000000002 111.148 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -122.08 151.98 40.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 72.310000000000002 110.827 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.631 ' HA ' HG22 ' A' ' 17' ' ' THR . 5.7 ttmt -119.09 149.48 41.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 70.049999999999997 110.927 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.58 ' HB2' HD22 ' A' ' 30' ' ' LEU . 33.9 tp -118.25 135.69 54.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 72.329999999999998 110.915 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.746 ' CG2' HG23 ' A' ' 53' ' ' THR . 21.4 mm -121.46 104.98 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 64.219999999999999 111.133 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.838 HG21 HD13 ' A' ' 39' ' ' ILE . 43.5 mt -98.63 89.94 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 111.161 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -73.07 78.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 72.239999999999995 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.95 114.13 4.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 64.310000000000002 112.461 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -59.46 -30.99 68.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 74.109999999999999 110.933 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -96.5 -29.11 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 73.099999999999994 111.133 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tt -154.46 107.48 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.219999999999999 110.898 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -101.99 154.61 18.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 71.209999999999994 110.913 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.09 167.18 39.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 64.409999999999997 112.478 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -149.19 156.48 42.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 73.450000000000003 110.867 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -160.75 156.1 24.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 65.299999999999997 111.16 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 4' ' ' LYS . 80.4 p -126.16 153.07 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 54.32 111.153 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -150.42 136.55 18.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 64.430000000000007 111.126 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.49 120.18 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.5 110.948 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.623 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -134.5 177.68 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 111.068 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.7 m -101.17 -25.38 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 53.140000000000001 111.146 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -140.67 155.03 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 64.450000000000003 110.848 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.42 -31.78 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 61.020000000000003 111.138 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.32 -32.07 43.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.030000000000001 111.196 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.623 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 36.6 m -61.57 -42.68 99.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 71.030000000000001 111.086 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 -37.94 58.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 75.329999999999998 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.07 -34.84 70.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 75.420000000000002 110.87 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -57.67 -38.46 75.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 54.210000000000001 110.879 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.96 -43.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 111.108 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.58 HD22 ' HB2' ' A' ' 5' ' ' LEU . 60.4 mt -56.63 -46.2 81.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 71.109999999999999 110.947 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -61.18 -26.22 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 65.219999999999999 110.914 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -81.22 -37.64 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 72.230000000000004 110.775 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -57.28 -41.78 80.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 71.219999999999999 110.988 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.49 -45.45 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 65.099999999999994 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -54.74 -38.12 66.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 43.030000000000001 110.905 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.35 -26.16 64.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 53.140000000000001 110.899 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -99.03 22.02 10.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 110.882 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.17 39.97 95.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.677 -0.773 . . . . 51.420000000000002 112.504 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.838 HD13 HG21 ' A' ' 7' ' ' ILE . 60.6 mt -102.83 130.86 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.412 . . . . 75.239999999999995 111.062 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -157.25 129.64 7.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 75.150000000000006 110.872 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.3 -147.02 5.72 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.799 -0.715 . . . . 54.420000000000002 112.542 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -84.38 91.65 7.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 65.430000000000007 110.904 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -76.46 118.77 19.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.489 . . . . 73.030000000000001 110.941 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.64 162.99 15.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 65.030000000000001 111.187 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -150.13 147.6 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 75.430000000000007 111.004 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -124.81 135.94 53.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.797 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -90.23 -25.54 20.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.150000000000006 110.827 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.3 -50.85 11.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 53.32 111.132 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -86.69 -17.16 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 111.18 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp 58.28 42.6 21.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 63.340000000000003 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.8 m -128.75 144.34 51.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 61.109999999999999 111.082 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.69 132.77 50.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 110.89 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.746 HG23 ' CG2' ' A' ' 6' ' ' ILE . 16.5 m -137.8 119.38 14.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 71.549999999999997 111.204 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 54' ' ' VAL . 6.8 p -110.44 122.95 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 74.400000000000006 111.174 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -92.91 113.57 25.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 74.030000000000001 111.178 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 71.329999999999998 110.908 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tpt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.856 0.36 . . . . 73.519999999999996 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -99.5 112.93 25.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 52.420000000000002 111.196 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -108.16 148.72 29.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 72.310000000000002 110.816 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.433 ' HA ' HG22 ' A' ' 17' ' ' THR . 6.6 ttmt -118.2 143.63 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 70.049999999999997 110.876 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 30' ' ' LEU . 28.3 tp -111.59 135.24 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 72.329999999999998 110.895 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.6 mm -121.61 105.03 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 64.219999999999999 111.132 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.628 ' CG2' HG21 ' A' ' 39' ' ' ILE . 53.8 mt -99.15 89.9 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.432 . . . . 72.239999999999995 111.116 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -72.42 79.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 72.239999999999995 110.938 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.62 125.97 8.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 64.310000000000002 112.517 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -66.91 -31.44 72.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 74.109999999999999 110.941 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.4 p -94.0 -33.02 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.099999999999994 111.142 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -154.38 119.11 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 72.219999999999999 110.972 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -105.59 151.64 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 71.209999999999994 110.914 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.98 -179.48 40.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 64.409999999999997 112.493 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.89 159.11 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 73.450000000000003 110.886 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -162.05 154.87 20.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 111.194 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 4' ' ' LYS . 32.2 p -124.05 158.83 31.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 54.32 111.133 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.436 HG22 HD21 ' A' ' 30' ' ' LEU . 3.9 t -158.26 129.37 6.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 64.430000000000007 111.163 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.44 121.29 17.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 73.5 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.668 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -138.07 177.25 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 74.439999999999998 111.123 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -107.52 -26.86 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 53.140000000000001 111.152 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -138.24 163.68 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 64.450000000000003 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.27 65.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 61.020000000000003 111.149 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.03 24.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 61.030000000000001 111.16 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.668 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 19.8 m -53.99 -47.72 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 71.030000000000001 111.132 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -73.32 -46.33 50.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.329999999999998 111.093 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -53.14 -30.29 36.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 75.420000000000002 110.913 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -60.32 -38.56 84.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 54.210000000000001 110.929 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.41 -39.64 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 74.140000000000001 111.133 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.563 ' HB3' HD22 ' A' ' 5' ' ' LEU . 79.5 mt -63.02 -51.26 67.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 71.109999999999999 110.86 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -53.58 -28.37 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 65.219999999999999 110.869 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.83 -41.12 21.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 72.230000000000004 110.904 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -52.06 -55.12 22.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 111.052 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.69 78.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 65.099999999999994 111.099 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -52.06 -50.84 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 43.030000000000001 110.887 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.92 -40.09 75.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 53.140000000000001 110.854 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -72.09 -17.41 61.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 110.822 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.33 25.38 9.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 51.420000000000002 112.583 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.628 HG21 ' CG2' ' A' ' 7' ' ' ILE . 5.2 mp -118.38 121.49 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 75.239999999999995 111.173 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.59 125.02 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 75.150000000000006 110.847 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.86 -133.43 1.48 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 54.420000000000002 112.495 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.33 100.64 3.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.795 0.331 . . . . 65.430000000000007 110.909 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -88.28 122.38 31.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 73.030000000000001 110.873 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -117.26 162.15 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 65.030000000000001 111.115 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -147.46 134.8 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.902 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.02 131.39 55.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 72.219999999999999 110.884 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -90.03 -25.48 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.150000000000006 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.63 -42.0 18.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 53.32 111.181 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -93.4 -17.57 23.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 74.109999999999999 111.094 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp 58.3 40.09 24.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 63.340000000000003 110.938 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.5 m -129.56 144.39 51.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 61.109999999999999 111.143 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -108.02 134.27 51.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 110.841 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.7 m -131.34 130.71 43.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 71.549999999999997 111.128 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.437 HG12 ' OE1' ' A' ' 56' ' ' GLU . 21.6 t -113.86 112.88 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 111.189 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.7 m -90.34 108.35 19.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.030000000000001 111.065 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' OE1' HG12 ' A' ' 54' ' ' VAL . 3.2 mp0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 71.329999999999998 110.954 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mtm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.91 0.386 . . . . 73.519999999999996 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.4 m -92.02 138.85 31.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 52.420000000000002 111.131 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -113.4 157.38 21.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 72.310000000000002 110.857 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HG3' HG22 ' A' ' 17' ' ' THR . 8.3 tttt -131.97 141.43 49.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 70.049999999999997 110.837 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 6' ' ' ILE . 2.7 tt -113.08 139.08 49.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 110.928 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.649 ' N ' HD23 ' A' ' 5' ' ' LEU . 20.6 mm -120.29 104.56 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 64.219999999999999 111.118 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.746 HG21 HD13 ' A' ' 39' ' ' ILE . 40.7 mt -95.88 89.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 72.239999999999995 111.148 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -74.0 75.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.239999999999995 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.14 118.03 6.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 64.310000000000002 112.457 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.626 ' HD2' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -59.59 -27.3 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 74.109999999999999 110.93 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.626 HG23 ' HD2' ' A' ' 10' ' ' LYS . 1.1 p -86.41 -45.14 11.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 73.099999999999994 111.125 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.35 112.72 3.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 72.219999999999999 110.939 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -84.76 153.83 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 71.209999999999994 110.931 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.7 163.02 36.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.668 -0.777 . . . . 64.409999999999997 112.47 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.54 ' HG2' HD13 ' A' ' 6' ' ' ILE . 80.4 mt-10 -144.52 167.67 21.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.994 0.426 . . . . 73.450000000000003 110.865 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.425 HG22 ' HB3' ' A' ' 5' ' ' LEU . 9.8 t -158.81 167.22 30.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 65.299999999999997 111.114 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.412 HG22 ' HG3' ' A' ' 4' ' ' LYS . 71.3 p -143.3 160.34 40.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 54.32 111.143 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -164.13 140.84 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 64.430000000000007 111.161 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -78.5 127.23 31.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 73.5 110.864 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.598 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -147.62 175.26 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 111.132 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 m -109.99 -27.91 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 53.140000000000001 111.096 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -134.35 169.35 17.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 64.450000000000003 110.835 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.14 79.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 61.020000000000003 111.078 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.48 -27.48 56.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 61.030000000000001 111.152 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.598 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 49.9 m -65.15 -49.83 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 71.030000000000001 111.087 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -75.18 -36.79 61.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 75.329999999999998 111.096 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.04 -35.29 46.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 75.420000000000002 110.911 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -36.19 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 54.210000000000001 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.02 -48.89 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.140000000000001 111.051 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.593 HD23 ' HG ' ' A' ' 5' ' ' LEU . 4.4 mp -53.71 -41.29 66.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 71.109999999999999 110.804 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -68.52 -28.4 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.409 . . . . 65.219999999999999 110.899 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -81.48 -30.85 33.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 72.230000000000004 110.924 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -63.77 -45.06 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 71.219999999999999 110.914 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.652 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -77.69 -47.69 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 65.099999999999994 111.096 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -56.59 -42.33 78.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 43.030000000000001 110.879 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -53.64 -33.16 54.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 53.140000000000001 110.914 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.07 -18.21 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 110.942 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.96 31.12 7.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.792 -0.718 . . . . 51.420000000000002 112.486 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.746 HD13 HG21 ' A' ' 7' ' ' ILE . 65.6 mt -87.08 132.32 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.327 . . . . 75.239999999999995 111.133 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -151.35 129.7 12.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 75.150000000000006 110.882 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.34 -149.94 8.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 54.420000000000002 112.438 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -80.1 93.81 5.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.906 0.384 . . . . 65.430000000000007 110.993 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -79.38 125.75 29.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 73.030000000000001 110.898 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -128.39 130.45 47.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 65.030000000000001 111.141 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -120.7 138.24 54.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 75.430000000000007 110.948 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.06 134.69 54.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 72.219999999999999 110.866 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -90.11 -25.84 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 74.150000000000006 110.785 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.58 -53.56 8.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 53.32 111.131 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.8 p -85.72 -16.16 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 74.109999999999999 111.162 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt 58.31 45.36 17.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 63.340000000000003 110.88 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -134.48 143.83 47.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 61.109999999999999 111.182 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -101.97 152.57 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.912 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.508 HG23 ' CG2' ' A' ' 6' ' ' ILE . 95.7 m -156.96 109.05 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 71.549999999999997 111.156 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 54' ' ' VAL . 6.7 p -99.52 123.04 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 74.400000000000006 111.111 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -91.27 109.41 20.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 111.1 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.495 ' CD ' HG23 ' A' ' 39' ' ' ILE . 11.5 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 71.329999999999998 110.893 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.936 0.398 . . . . 73.519999999999996 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 m -81.08 120.52 24.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 52.420000000000002 111.112 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -114.01 150.45 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 72.310000000000002 110.853 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -121.67 146.3 47.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 70.049999999999997 110.959 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 6' ' ' ILE . 2.2 tt -116.36 130.23 56.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 72.329999999999998 110.932 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.577 ' N ' HD23 ' A' ' 5' ' ' LEU . 20.6 mm -113.32 104.26 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 64.219999999999999 111.17 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.712 HG21 HD13 ' A' ' 39' ' ' ILE . 45.5 mt -94.96 89.94 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 72.239999999999995 111.153 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -73.82 75.92 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 72.239999999999995 110.886 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.78 116.53 5.33 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.83 -0.7 . . . . 64.310000000000002 112.554 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -25.94 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.349 . . . . 74.109999999999999 110.866 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -111.92 -32.61 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 73.099999999999994 111.071 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 tp -133.02 94.38 3.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 72.219999999999999 110.97 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -102.98 154.75 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 71.209999999999994 110.943 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.33 177.45 41.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 64.409999999999997 112.499 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -145.83 162.19 38.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.967 0.413 . . . . 73.450000000000003 110.817 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 t -158.28 156.97 31.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 65.299999999999997 111.156 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 p -136.38 155.1 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 54.32 111.213 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -155.63 121.76 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 111.126 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 116.24 12.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.5 110.893 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.71 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -131.58 175.0 9.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.529 . . . . 74.439999999999998 111.065 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.4 m -89.97 -30.6 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 53.140000000000001 111.109 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -141.15 174.12 10.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 64.450000000000003 110.784 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.77 -26.22 66.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 61.020000000000003 111.099 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.46 -28.49 31.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.412 . . . . 61.030000000000001 111.048 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.71 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 23.6 m -69.71 -41.94 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 71.030000000000001 111.162 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -76.5 -39.68 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 75.329999999999998 111.052 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -52.06 -38.25 56.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 75.420000000000002 110.881 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -52.96 -41.42 64.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 54.210000000000001 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.78 -39.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 74.140000000000001 111.089 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 5' ' ' LEU . 91.7 mt -56.3 -46.37 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 71.109999999999999 110.974 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -64.67 -32.48 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 65.219999999999999 110.866 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -73.74 -30.14 62.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 72.230000000000004 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -67.01 -46.82 73.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 71.219999999999999 110.923 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' HA ' HD12 ' A' ' 39' ' ' ILE . . . -70.05 -52.87 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 65.099999999999994 111.092 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -53.72 -37.24 63.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 43.030000000000001 110.872 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.63 -26.3 63.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 53.140000000000001 110.787 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -98.31 22.0 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 110.895 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.99 20.32 53.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 51.420000000000002 112.469 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.712 HD13 HG21 ' A' ' 7' ' ' ILE . 78.8 mt -78.17 131.95 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 75.239999999999995 111.17 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -143.14 127.05 17.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 75.150000000000006 110.816 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.57 -158.0 20.3 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.734 -0.745 . . . . 54.420000000000002 112.49 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -90.31 126.66 35.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 65.430000000000007 110.927 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.477 ' CD2' HG22 ' A' ' 54' ' ' VAL . 39.6 m95 -96.11 129.23 43.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.128 -0.487 . . . . 73.030000000000001 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.9 p -122.81 131.03 53.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 65.030000000000001 111.171 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -117.51 134.55 54.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.918 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -116.12 129.83 56.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 72.219999999999999 110.921 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.11 -24.24 21.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.821 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.73 -29.3 62.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 53.32 111.079 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 p -116.06 -13.09 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 74.109999999999999 111.169 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt 58.35 44.45 18.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 63.340000000000003 110.936 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.8 m -137.05 149.49 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 61.109999999999999 111.233 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -105.95 153.35 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 74.439999999999998 110.836 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.8 m -146.38 109.02 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.549999999999997 111.193 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.477 HG22 ' CD2' ' A' ' 43' ' ' TRP . 21.8 t -93.06 107.79 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 111.139 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.5 m -88.74 103.73 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 74.030000000000001 111.205 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' OE2' HG12 ' A' ' 54' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.329999999999998 110.823 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.916 0.389 . . . . 73.519999999999996 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -80.15 133.53 36.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 52.420000000000002 111.155 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -117.05 156.87 26.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 72.310000000000002 110.862 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -123.09 146.76 47.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 70.049999999999997 110.919 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.571 HD23 ' CG2' ' A' ' 16' ' ' THR . 26.2 tp -116.08 136.08 53.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.329999999999998 110.933 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.635 ' CG2' HG23 ' A' ' 53' ' ' THR . 20.5 mm -121.33 105.75 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 64.219999999999999 111.122 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mt -96.16 89.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 72.239999999999995 111.146 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -74.87 74.97 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.07 131.46 10.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 64.310000000000002 112.546 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -56.68 -24.9 52.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.818 0.342 . . . . 74.109999999999999 110.841 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -126.22 -37.23 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 111.161 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.34 96.78 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.219999999999999 110.912 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.96 139.26 49.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 71.209999999999994 110.915 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.28 -156.8 14.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 64.409999999999997 112.497 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -169.57 156.03 6.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.881 0.372 . . . . 73.450000000000003 110.858 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.571 ' CG2' HD23 ' A' ' 5' ' ' LEU . 3.0 t -155.78 150.74 26.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 65.299999999999997 111.083 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.8 p -120.59 157.7 28.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 54.32 111.143 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -155.54 127.94 7.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 64.430000000000007 111.123 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -71.44 124.14 23.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 73.5 110.885 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -142.79 -178.9 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 111.056 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.0 m -109.2 -28.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 53.140000000000001 111.058 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -139.06 170.47 15.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.252 -0.431 . . . . 64.450000000000003 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.53 -33.82 75.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 61.020000000000003 111.109 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.7 -26.47 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 61.030000000000001 111.057 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.723 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 23.7 m -68.93 -47.13 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 71.030000000000001 111.146 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -73.47 -44.45 57.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.329999999999998 111.047 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -53.84 -33.24 55.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.420000000000002 110.96 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -58.24 -40.84 82.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 54.210000000000001 110.927 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.28 -44.26 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 111.159 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' A' ' 5' ' ' LEU . 75.1 mt -56.66 -47.42 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 71.109999999999999 110.899 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -63.21 -30.27 71.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 65.219999999999999 110.899 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -74.9 -31.47 61.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.915 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -67.93 -41.6 82.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 71.219999999999999 110.913 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -75.28 -44.87 43.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 65.099999999999994 111.08 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -55.02 -41.7 71.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 43.030000000000001 110.824 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.61 -27.93 52.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 53.140000000000001 110.912 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -90.52 -18.16 25.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 73.230000000000004 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.96 30.73 6.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 51.420000000000002 112.499 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.482 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 56.4 mt -89.62 133.36 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 75.239999999999995 111.178 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -157.31 128.45 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.150000000000006 110.868 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.83 -137.07 2.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 54.420000000000002 112.464 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -90.63 96.0 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 65.430000000000007 110.952 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -84.03 116.4 22.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 73.030000000000001 110.962 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 p -110.53 174.3 5.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 65.030000000000001 111.194 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -158.18 144.42 17.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 75.430000000000007 110.909 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.36 131.98 56.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 72.219999999999999 110.869 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -90.09 -25.42 20.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 74.150000000000006 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.02 -43.01 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 53.32 111.103 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -92.07 -17.9 24.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.109999999999999 111.128 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 58.35 41.56 22.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 63.340000000000003 110.923 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.9 m -128.33 144.33 51.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.414 . . . . 61.109999999999999 111.11 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -103.42 145.08 30.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 110.817 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.635 HG23 ' CG2' ' A' ' 6' ' ' ILE . 25.8 m -148.33 127.61 13.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 71.549999999999997 111.155 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.56 124.57 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 74.400000000000006 111.151 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -98.04 111.77 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.030000000000001 111.114 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 71.329999999999998 110.894 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.899 0.38 . . . . 73.519999999999996 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m -102.87 144.89 30.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 52.420000000000002 111.09 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -128.55 157.66 40.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 110.876 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -129.95 144.49 51.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 70.049999999999997 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.625 HD23 ' N ' ' A' ' 6' ' ' ILE . 3.0 tt -115.14 131.03 57.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 72.329999999999998 110.941 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.64 ' CG2' HG23 ' A' ' 53' ' ' THR . 20.3 mm -112.4 104.4 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 64.219999999999999 111.138 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.809 HG23 HG21 ' A' ' 39' ' ' ILE . 52.7 mt -94.13 90.01 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 72.239999999999995 111.179 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -74.3 75.69 1.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 72.239999999999995 110.917 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.03 131.3 10.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 64.310000000000002 112.453 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -26.07 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 74.109999999999999 110.946 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 t -104.49 -26.58 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 73.099999999999994 111.107 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tt -153.55 113.34 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 72.219999999999999 110.871 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -109.53 153.7 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 71.209999999999994 110.883 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.59 -173.2 39.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 64.409999999999997 112.439 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -154.75 162.37 41.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 73.450000000000003 110.911 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 5' ' ' LEU . 10.2 t -157.34 165.46 35.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 65.299999999999997 111.15 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 p -143.07 160.15 40.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 54.32 111.129 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.549 HG22 HD21 ' A' ' 30' ' ' LEU . 2.2 t -166.13 125.55 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 64.430000000000007 111.185 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -70.28 129.08 38.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.827 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.588 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -144.78 170.79 15.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 111.17 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.7 m -91.02 -31.13 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 53.140000000000001 111.122 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -141.83 162.17 36.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 64.450000000000003 110.946 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.25 68.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.259 -0.428 . . . . 61.020000000000003 111.052 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.18 63.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 61.030000000000001 111.189 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.588 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 59.7 m -69.65 -45.94 67.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 71.030000000000001 111.151 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -77.99 -41.78 34.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.127 -0.488 . . . . 75.329999999999998 111.151 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -52.07 -30.64 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.420000000000002 110.851 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -62.93 -45.43 92.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 54.210000000000001 110.967 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.9 t -80.41 -33.8 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 74.140000000000001 111.17 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.562 HD22 ' HB2' ' A' ' 5' ' ' LEU . 92.2 mt -64.69 -55.89 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 71.109999999999999 110.896 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -53.44 -31.08 43.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 65.219999999999999 110.92 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -74.63 -38.99 62.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 72.230000000000004 110.938 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.11 -52.57 50.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 71.219999999999999 110.908 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.89 80.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 65.099999999999994 111.123 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -51.91 -54.09 33.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 43.030000000000001 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -55.82 -35.85 66.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 53.140000000000001 110.87 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.423 HD22 ' N ' ' A' ' 37' ' ' ASN . 1.5 m-80 -75.72 -17.59 59.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 73.230000000000004 110.89 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.49 24.63 9.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 51.420000000000002 112.47 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.809 HG21 HG23 ' A' ' 7' ' ' ILE . 5.2 mp -118.36 116.51 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 75.239999999999995 111.12 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.59 124.92 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 75.150000000000006 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.76 -128.05 0.99 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.781 -0.723 . . . . 54.420000000000002 112.527 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -71.48 92.82 1.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.796 0.331 . . . . 65.430000000000007 110.862 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.431 ' HH2' HD11 ' A' ' 5' ' ' LEU . 30.3 m95 -87.74 126.52 35.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.030000000000001 110.962 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -128.42 131.67 48.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 65.030000000000001 111.198 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -118.41 145.87 44.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.411 . . . . 75.430000000000007 110.899 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.29 132.37 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 72.219999999999999 110.814 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.12 -25.45 20.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.150000000000006 110.87 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.66 -39.86 21.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 53.32 111.053 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.7 p -95.77 -17.35 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 74.109999999999999 111.157 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 58.32 41.4 23.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 63.340000000000003 110.961 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -133.42 142.29 48.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 61.109999999999999 111.089 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -98.53 153.38 18.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 74.439999999999998 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.64 HG23 ' CG2' ' A' ' 6' ' ' ILE . 34.5 m -154.91 109.02 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.549999999999997 111.125 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 p -98.72 131.18 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.145 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -105.95 114.26 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 74.030000000000001 111.132 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' CD ' HG23 ' A' ' 39' ' ' ILE . 5.6 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 71.329999999999998 110.83 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 mtm . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.895 0.379 . . . . 73.519999999999996 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 m -78.05 133.19 37.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 52.420000000000002 111.185 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -127.66 151.69 48.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.310000000000002 110.928 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -118.93 144.82 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 70.049999999999997 110.863 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.587 HD23 ' CG2' ' A' ' 16' ' ' THR . 42.5 tp -112.96 135.65 53.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.329999999999998 110.942 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 mm -122.28 109.37 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 64.219999999999999 111.149 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.604 ' CG2' HG21 ' A' ' 39' ' ' ILE . 57.0 mt -102.28 89.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 72.239999999999995 111.148 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -71.44 81.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.239999999999995 110.87 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.63 127.69 8.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.897 -0.668 . . . . 64.310000000000002 112.466 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.88 -26.73 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 74.109999999999999 110.912 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.4 t -102.33 -26.6 13.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 73.099999999999994 111.245 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.36 112.82 3.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 110.95 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -108.58 155.23 20.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 71.209999999999994 110.867 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.58 -171.32 40.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 64.409999999999997 112.529 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -165.53 159.3 16.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 73.450000000000003 110.796 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.587 ' CG2' HD23 ' A' ' 5' ' ' LEU . 3.7 t -157.17 157.59 34.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 65.299999999999997 111.07 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.4 p -131.03 145.85 52.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 54.32 111.119 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.545 HG23 ' HB1' ' A' ' 26' ' ' ALA . 4.7 t -145.16 119.5 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 64.430000000000007 111.157 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -74.08 108.01 6.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.743 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -125.3 174.71 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 111.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 m -85.44 -25.67 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 53.140000000000001 111.138 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -149.87 162.53 40.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.450000000000003 110.839 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.65 -37.5 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 61.020000000000003 111.071 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -36.27 74.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 61.030000000000001 111.127 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.559 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 21.4 m -68.8 -37.0 78.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 71.030000000000001 111.198 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.743 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -80.62 -45.16 17.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 111.138 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.33 -33.61 54.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 75.420000000000002 110.92 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -51.94 -36.59 49.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 54.210000000000001 110.96 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.13 -33.85 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.140000000000001 111.151 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 5' ' ' LEU . 61.5 mt -60.33 -51.97 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 71.109999999999999 110.971 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -54.52 -32.13 57.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 65.219999999999999 110.951 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -74.97 -36.36 62.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.230000000000004 110.931 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.466 ' CG ' HG21 ' A' ' 16' ' ' THR . 24.4 t80 -56.23 -50.26 71.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 71.219999999999999 110.949 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.88 37.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 65.099999999999994 111.033 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -51.94 -51.69 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 43.030000000000001 110.893 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.61 -30.06 60.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 53.140000000000001 110.983 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 37' ' ' ASN . 1.5 m-80 -86.88 -17.78 32.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.001 -0.545 . . . . 73.230000000000004 110.875 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.28 27.11 8.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.854 -0.689 . . . . 51.420000000000002 112.555 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.604 HG21 ' CG2' ' A' ' 7' ' ' ILE . 3.6 mp -118.33 122.5 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.337 . . . . 75.239999999999995 111.153 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -157.41 127.26 6.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 75.150000000000006 110.904 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -168.34 -132.6 1.44 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.733 -0.746 . . . . 54.420000000000002 112.52 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.1 103.01 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 65.430000000000007 110.934 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -90.42 117.37 29.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 73.030000000000001 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.76 162.59 16.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 65.030000000000001 111.124 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -150.71 136.73 18.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 75.430000000000007 110.934 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -115.34 136.06 53.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 72.219999999999999 110.93 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -90.18 -25.63 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 74.150000000000006 110.809 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.97 -54.46 6.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 53.32 111.058 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -84.74 -16.37 41.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 74.109999999999999 111.074 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm 58.38 43.22 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 63.340000000000003 110.962 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.4 m -131.11 144.38 51.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 61.109999999999999 111.151 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.82 134.9 47.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 74.439999999999998 110.863 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -130.74 127.56 39.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 71.549999999999997 111.081 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.87 110.07 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.400000000000006 111.125 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 m -89.55 104.93 17.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.030000000000001 111.16 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.536 ' CD ' HG23 ' A' ' 39' ' ' ILE . 3.8 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 71.329999999999998 110.857 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.904 0.383 . . . . 73.519999999999996 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.1 125.91 26.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 52.420000000000002 111.074 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -104.09 168.55 9.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.310000000000002 110.803 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.507 ' HA ' HG22 ' A' ' 17' ' ' THR . 19.1 tttt -130.82 149.68 52.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.073 -0.512 . . . . 70.049999999999997 110.938 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 30' ' ' LEU . 58.7 tp -124.52 144.28 50.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.405 . . . . 72.329999999999998 110.947 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.54 ' CG2' HG23 ' A' ' 53' ' ' THR . 19.5 mm -126.99 109.42 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 64.219999999999999 111.124 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.822 HG21 HD13 ' A' ' 39' ' ' ILE . 61.8 mt -100.99 89.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 72.239999999999995 111.08 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -73.33 77.24 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 72.239999999999995 110.846 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.21 125.32 6.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 64.310000000000002 112.475 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -25.89 68.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 74.109999999999999 110.863 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t -112.73 -33.29 6.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 73.099999999999994 111.206 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tt -154.44 111.83 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 72.219999999999999 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -85.1 166.07 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 71.209999999999994 110.809 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.1 -166.44 12.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 64.409999999999997 112.505 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -179.38 158.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 73.450000000000003 110.809 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.592 ' CG2' HD23 ' A' ' 5' ' ' LEU . 1.8 t -174.87 148.3 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 65.299999999999997 111.13 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 4' ' ' LYS . 39.5 p -126.01 137.88 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 54.32 111.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.423 HG22 HD21 ' A' ' 30' ' ' LEU . 9.7 t -152.22 127.38 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 64.430000000000007 111.175 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -70.05 142.82 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 73.5 110.932 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.764 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -155.91 174.19 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.439999999999998 111.097 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.31 -25.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 53.140000000000001 111.135 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -137.66 167.0 22.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 64.450000000000003 110.813 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.45 74.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 61.020000000000003 111.086 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.66 -33.56 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 61.030000000000001 111.059 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.764 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 19.9 m -54.68 -49.31 70.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 71.030000000000001 111.12 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -75.45 -41.79 54.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.329999999999998 111.007 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -53.39 -28.61 30.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 75.420000000000002 110.911 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -57.88 -44.35 86.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 54.210000000000001 110.908 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.61 -34.36 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 111.082 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.743 ' HB3' HD22 ' A' ' 5' ' ' LEU . 95.3 mt -63.13 -48.66 77.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.109999999999999 110.917 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.09 -32.55 71.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 65.219999999999999 110.835 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -70.08 -37.25 75.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 110.981 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.4 -41.85 98.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 71.219999999999999 110.911 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HA ' HD12 ' A' ' 39' ' ' ILE . . . -79.0 -44.62 21.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 65.099999999999994 111.035 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -55.99 -40.76 73.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 43.030000000000001 110.829 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.81 -26.37 57.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 53.140000000000001 110.873 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -100.3 21.97 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.35 36.86 90.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 51.420000000000002 112.451 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.822 HD13 HG21 ' A' ' 7' ' ' ILE . 71.2 mt -98.39 129.71 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 75.239999999999995 111.091 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -157.63 131.98 8.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 75.150000000000006 110.854 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.12 -152.74 9.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.819 -0.705 . . . . 54.420000000000002 112.576 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -78.7 92.01 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 65.430000000000007 110.916 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -78.63 131.56 36.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.030000000000001 110.898 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.0 p -133.81 174.48 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.030000000000001 111.251 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -158.57 157.54 32.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.271 -0.422 . . . . 75.430000000000007 110.843 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -127.09 139.04 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 72.219999999999999 110.78 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -90.13 -25.2 20.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 74.150000000000006 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.64 -48.64 14.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 53.32 111.048 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 p -89.04 -17.05 30.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 74.109999999999999 111.168 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp 58.36 42.48 21.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 63.340000000000003 110.92 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.4 m -131.36 144.26 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 61.109999999999999 111.25 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -103.78 145.14 30.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 74.439999999999998 110.883 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.54 HG23 ' CG2' ' A' ' 6' ' ' ILE . 95.1 m -148.4 131.37 16.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.549999999999997 111.072 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -120.83 134.61 63.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 111.142 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -102.93 103.86 14.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.030000000000001 111.118 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 71.329999999999998 110.85 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 mtp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.844 0.354 . . . . 73.519999999999996 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 m -96.42 129.5 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 52.420000000000002 111.096 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.9 157.02 23.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 72.310000000000002 110.886 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -121.53 149.29 43.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 70.049999999999997 110.906 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.671 HD23 HG22 ' A' ' 16' ' ' THR . 44.1 tp -117.85 139.16 51.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 110.91 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.7 mm -126.93 109.44 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 64.219999999999999 111.038 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.722 ' CG2' HG21 ' A' ' 39' ' ' ILE . 79.3 mt -102.43 89.92 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 111.15 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -71.32 84.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 110.845 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.49 125.04 8.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 64.310000000000002 112.374 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -25.76 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 74.109999999999999 110.848 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -109.22 -33.06 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 73.099999999999994 111.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -154.23 113.19 3.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 72.219999999999999 110.986 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -80.69 159.69 25.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.209999999999994 110.9 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.96 174.17 30.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 64.409999999999997 112.482 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -176.69 157.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 73.450000000000003 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.671 HG22 HD23 ' A' ' 5' ' ' LEU . 14.8 t -171.36 163.67 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 65.299999999999997 111.156 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.2 p -128.29 158.26 38.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 54.32 111.152 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.469 HG22 HD21 ' A' ' 30' ' ' LEU . 5.2 t -161.06 135.43 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 64.430000000000007 111.148 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.69 127.13 32.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.93 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.664 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -144.65 175.48 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 111.035 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.12 -33.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 53.140000000000001 111.086 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -137.43 173.8 11.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.252 -0.431 . . . . 64.450000000000003 110.924 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.54 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 61.020000000000003 111.051 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.35 -36.78 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 61.030000000000001 111.077 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.664 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 26.2 m -57.79 -49.52 76.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 71.030000000000001 111.149 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -69.89 -39.59 76.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 75.329999999999998 111.112 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -52.05 -36.74 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.99 0.424 . . . . 75.420000000000002 110.931 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -57.55 -32.46 67.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 54.210000000000001 110.886 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.1 t -87.8 -40.02 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 111.176 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.473 HD22 ' HB2' ' A' ' 5' ' ' LEU . 59.6 mt -62.75 -52.31 63.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.126 -0.488 . . . . 71.109999999999999 110.888 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -52.52 -29.46 25.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 65.219999999999999 110.927 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -80.19 -37.74 32.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.230000000000004 110.958 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -57.63 -50.33 73.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 71.219999999999999 110.856 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.36 -52.33 54.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 65.099999999999994 111.047 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -51.87 -50.44 60.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 43.030000000000001 110.883 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -56.37 -29.33 61.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 53.140000000000001 110.874 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -85.95 -16.82 37.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 73.230000000000004 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.41 25.41 9.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 51.420000000000002 112.435 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.722 HG21 ' CG2' ' A' ' 7' ' ' ILE . 5.1 mp -118.31 121.86 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 75.239999999999995 111.155 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -157.61 127.45 6.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 75.150000000000006 110.858 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.48 -135.01 1.79 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.687 -0.768 . . . . 54.420000000000002 112.461 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -73.81 106.98 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 65.430000000000007 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CD2' HG22 ' A' ' 54' ' ' VAL . 35.9 m95 -92.26 128.29 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.030000000000001 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.6 p -130.54 137.6 49.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.225 -0.443 . . . . 65.030000000000001 111.078 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -121.22 139.81 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.892 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -112.91 130.58 56.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 72.219999999999999 110.881 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -90.16 -25.49 20.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.856 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.07 -39.08 23.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 53.32 111.048 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.6 p -97.08 -16.97 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.109999999999999 111.059 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp 58.31 42.97 20.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 63.340000000000003 110.895 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -135.43 144.28 46.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 61.109999999999999 111.16 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -104.68 136.27 44.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 74.439999999999998 110.904 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.2 m -130.39 129.81 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 71.549999999999997 111.178 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.404 HG22 ' CD2' ' A' ' 43' ' ' TRP . 21.9 t -113.53 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 74.400000000000006 111.136 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 m -88.36 103.95 16.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 74.030000000000001 111.143 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.709 ' HG3' HG23 ' A' ' 39' ' ' ILE . 1.6 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.329999999999998 110.913 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.859 0.362 . . . . 73.519999999999996 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -86.8 131.93 33.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 52.420000000000002 111.144 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -109.29 162.73 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.310000000000002 110.882 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -129.21 130.66 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 70.049999999999997 110.897 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.644 ' HB2' HD22 ' A' ' 30' ' ' LEU . 27.5 tp -99.78 136.22 40.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 72.329999999999998 110.893 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.455 HG22 HG23 ' A' ' 53' ' ' THR . 21.7 mm -123.02 105.08 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.219999999999999 111.182 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.731 HG21 HD13 ' A' ' 39' ' ' ILE . 34.6 mt -99.87 89.92 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 72.239999999999995 111.09 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -72.48 80.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 72.239999999999995 110.906 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.26 119.99 6.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 64.310000000000002 112.474 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -27.94 69.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.37 . . . . 74.109999999999999 110.876 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -101.22 -31.96 10.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.099999999999994 111.17 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.8 tp -153.13 110.78 3.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 110.965 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -100.78 156.35 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.209999999999994 110.922 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.71 -177.7 38.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 64.409999999999997 112.498 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -163.4 151.49 13.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.397 . . . . 73.450000000000003 110.861 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.483 ' CG2' HD23 ' A' ' 5' ' ' LEU . 3.1 t -156.57 151.93 26.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 65.299999999999997 111.162 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 4' ' ' LYS . 61.1 p -124.02 148.34 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 54.32 111.11 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -148.1 138.13 22.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 64.430000000000007 111.131 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -72.28 129.01 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 73.5 110.883 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.644 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -152.15 168.23 25.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 74.439999999999998 111.078 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.5 m -102.46 -28.03 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 53.140000000000001 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -137.54 159.65 41.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 64.450000000000003 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.486 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -56.59 -25.92 54.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 61.020000000000003 111.088 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 -30.55 31.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 61.030000000000001 111.09 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.644 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 49.6 m -67.49 -44.03 79.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 71.030000000000001 111.139 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -75.74 -44.34 42.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 75.329999999999998 111.121 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -53.52 -29.03 34.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.420000000000002 110.869 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -60.72 -42.39 97.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 54.210000000000001 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -85.17 -38.1 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 74.140000000000001 111.092 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD22 ' HB2' ' A' ' 5' ' ' LEU . 97.3 mt -62.78 -49.08 76.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 71.109999999999999 110.915 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -57.54 -31.69 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 65.219999999999999 110.881 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -75.97 -35.22 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 72.230000000000004 110.905 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -63.44 -44.17 95.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.915 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.7 -50.73 33.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 65.099999999999994 111.074 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -54.3 -37.81 65.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 43.030000000000001 110.925 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -59.21 -26.42 64.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 53.140000000000001 110.905 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -99.97 22.01 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.230000000000004 110.886 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.22 39.65 94.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 51.420000000000002 112.493 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.731 HD13 HG21 ' A' ' 7' ' ' ILE . 75.6 mt -103.39 127.82 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.329 . . . . 75.239999999999995 111.109 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.46 130.6 10.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 75.150000000000006 110.873 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.73 -149.3 7.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 54.420000000000002 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -74.57 102.33 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 65.430000000000007 110.876 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -88.59 116.42 26.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.13 -0.487 . . . . 73.030000000000001 110.906 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 p -114.58 160.6 19.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 65.030000000000001 111.124 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -147.36 137.1 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.430000000000007 110.87 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.63 132.1 56.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 72.219999999999999 110.871 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -89.84 -28.02 19.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.863 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.78 -54.88 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 53.32 111.075 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.7 p -84.81 -15.56 44.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 74.109999999999999 111.104 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 58.31 46.35 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 63.340000000000003 110.933 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.9 m -133.0 143.79 49.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 61.109999999999999 111.163 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 85.9 m-85 -106.11 135.33 47.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 74.439999999999998 110.895 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.455 HG23 HG22 ' A' ' 6' ' ' ILE . 91.1 m -134.49 130.46 36.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.549999999999997 111.118 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -115.27 111.16 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 111.093 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 m -86.51 100.07 12.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 74.030000000000001 111.122 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.537 ' CD ' HG23 ' A' ' 39' ' ' ILE . 21.1 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 71.329999999999998 110.91 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.4 mtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.869 0.366 . . . . 73.519999999999996 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 m -79.43 129.84 34.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 52.420000000000002 111.148 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -122.08 151.98 40.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 72.310000000000002 110.827 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.631 ' HA ' HG22 ' A' ' 17' ' ' THR . 5.7 ttmt -119.09 149.48 41.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 70.049999999999997 110.927 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.58 ' HB2' HD22 ' A' ' 30' ' ' LEU . 33.9 tp -118.25 135.69 54.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 72.329999999999998 110.915 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.746 ' CG2' HG23 ' A' ' 53' ' ' THR . 21.4 mm -121.46 104.98 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 64.219999999999999 111.133 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.838 HG21 HD13 ' A' ' 39' ' ' ILE . 43.5 mt -98.63 89.94 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 111.161 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -73.07 78.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 72.239999999999995 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.95 114.13 4.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 64.310000000000002 112.461 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -59.46 -30.99 68.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 74.109999999999999 110.933 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 t -96.5 -29.11 14.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 73.099999999999994 111.133 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 tt -154.46 107.48 2.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.219999999999999 110.898 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -101.99 154.61 18.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 71.209999999999994 110.913 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.09 167.18 39.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 64.409999999999997 112.478 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -149.19 156.48 42.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 73.450000000000003 110.867 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 t -160.75 156.1 24.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 65.299999999999997 111.16 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 4' ' ' LYS . 80.4 p -126.16 153.07 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 54.32 111.153 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -150.42 136.55 18.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 64.430000000000007 111.126 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.49 120.18 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.5 110.948 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.623 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -134.5 177.68 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 111.068 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.7 m -101.17 -25.38 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 53.140000000000001 111.146 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -140.67 155.03 46.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 64.450000000000003 110.848 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.42 -31.78 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 61.020000000000003 111.138 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.32 -32.07 43.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.030000000000001 111.196 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.623 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 36.6 m -61.57 -42.68 99.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 71.030000000000001 111.086 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 -37.94 58.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 75.329999999999998 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.07 -34.84 70.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 75.420000000000002 110.87 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -57.67 -38.46 75.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 54.210000000000001 110.879 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.4 t -86.96 -43.12 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 111.108 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.58 HD22 ' HB2' ' A' ' 5' ' ' LEU . 60.4 mt -56.63 -46.2 81.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 71.109999999999999 110.947 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -61.18 -26.22 67.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 65.219999999999999 110.914 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -81.22 -37.64 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 72.230000000000004 110.775 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -57.28 -41.78 80.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 71.219999999999999 110.988 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.49 -45.45 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 65.099999999999994 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -54.74 -38.12 66.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 43.030000000000001 110.905 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.35 -26.16 64.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 53.140000000000001 110.899 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -99.03 22.02 10.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 110.882 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.17 39.97 95.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.677 -0.773 . . . . 51.420000000000002 112.504 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.838 HD13 HG21 ' A' ' 7' ' ' ILE . 60.6 mt -102.83 130.86 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.412 . . . . 75.239999999999995 111.062 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -157.25 129.64 7.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 75.150000000000006 110.872 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.3 -147.02 5.72 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.799 -0.715 . . . . 54.420000000000002 112.542 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -84.38 91.65 7.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 65.430000000000007 110.904 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -76.46 118.77 19.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.489 . . . . 73.030000000000001 110.941 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.64 162.99 15.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 65.030000000000001 111.187 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -150.13 147.6 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 75.430000000000007 111.004 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -124.81 135.94 53.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.797 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -90.23 -25.54 20.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.150000000000006 110.827 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.3 -50.85 11.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 53.32 111.132 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -86.69 -17.16 34.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 111.18 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp 58.28 42.6 21.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 63.340000000000003 110.847 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.8 m -128.75 144.34 51.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 61.109999999999999 111.082 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.69 132.77 50.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 110.89 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.746 HG23 ' CG2' ' A' ' 6' ' ' ILE . 16.5 m -137.8 119.38 14.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 71.549999999999997 111.204 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 54' ' ' VAL . 6.8 p -110.44 122.95 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 74.400000000000006 111.174 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.3 m -92.91 113.57 25.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 74.030000000000001 111.178 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 71.329999999999998 110.908 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 tpt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.856 0.36 . . . . 73.519999999999996 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -99.5 112.93 25.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 52.420000000000002 111.196 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -108.16 148.72 29.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 72.310000000000002 110.816 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.433 ' HA ' HG22 ' A' ' 17' ' ' THR . 6.6 ttmt -118.2 143.63 46.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 70.049999999999997 110.876 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 30' ' ' LEU . 28.3 tp -111.59 135.24 52.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 72.329999999999998 110.895 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.6 mm -121.61 105.03 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 64.219999999999999 111.132 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.628 ' CG2' HG21 ' A' ' 39' ' ' ILE . 53.8 mt -99.15 89.9 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.432 . . . . 72.239999999999995 111.116 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -72.42 79.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 72.239999999999995 110.938 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.62 125.97 8.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 64.310000000000002 112.517 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -66.91 -31.44 72.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 74.109999999999999 110.941 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.4 p -94.0 -33.02 13.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.099999999999994 111.142 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -154.38 119.11 4.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 72.219999999999999 110.972 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -105.59 151.64 24.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 71.209999999999994 110.914 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.98 -179.48 40.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 64.409999999999997 112.493 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.89 159.11 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 73.450000000000003 110.886 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 t -162.05 154.87 20.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 111.194 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 4' ' ' LYS . 32.2 p -124.05 158.83 31.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 54.32 111.133 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.436 HG22 HD21 ' A' ' 30' ' ' LEU . 3.9 t -158.26 129.37 6.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 64.430000000000007 111.163 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.44 121.29 17.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 73.5 110.915 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.668 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -138.07 177.25 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 74.439999999999998 111.123 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.6 m -107.52 -26.86 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 53.140000000000001 111.152 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -138.24 163.68 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 64.450000000000003 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.27 65.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 61.020000000000003 111.149 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.03 24.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 61.030000000000001 111.16 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.668 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 19.8 m -53.99 -47.72 71.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 71.030000000000001 111.132 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -73.32 -46.33 50.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.329999999999998 111.093 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -53.14 -30.29 36.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 75.420000000000002 110.913 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -60.32 -38.56 84.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 54.210000000000001 110.929 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.41 -39.64 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 74.140000000000001 111.133 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.563 ' HB3' HD22 ' A' ' 5' ' ' LEU . 79.5 mt -63.02 -51.26 67.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.479 . . . . 71.109999999999999 110.86 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -53.58 -28.37 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 65.219999999999999 110.869 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -81.83 -41.12 21.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 72.230000000000004 110.904 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -52.06 -55.12 22.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 111.052 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.69 78.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 65.099999999999994 111.099 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -52.06 -50.84 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 43.030000000000001 110.887 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.92 -40.09 75.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 53.140000000000001 110.854 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -72.09 -17.41 61.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 110.822 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.33 25.38 9.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 51.420000000000002 112.583 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.628 HG21 ' CG2' ' A' ' 7' ' ' ILE . 5.2 mp -118.38 121.49 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 75.239999999999995 111.173 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.59 125.02 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 75.150000000000006 110.847 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.86 -133.43 1.48 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 54.420000000000002 112.495 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.33 100.64 3.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.795 0.331 . . . . 65.430000000000007 110.909 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -88.28 122.38 31.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 73.030000000000001 110.873 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -117.26 162.15 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 65.030000000000001 111.115 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -147.46 134.8 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.902 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.02 131.39 55.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 72.219999999999999 110.884 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -90.03 -25.48 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.150000000000006 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.63 -42.0 18.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 53.32 111.181 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -93.4 -17.57 23.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 74.109999999999999 111.094 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp 58.3 40.09 24.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 63.340000000000003 110.938 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.5 m -129.56 144.39 51.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 61.109999999999999 111.143 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -108.02 134.27 51.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 110.841 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.7 m -131.34 130.71 43.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 71.549999999999997 111.128 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.437 HG12 ' OE1' ' A' ' 56' ' ' GLU . 21.6 t -113.86 112.88 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 111.189 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.7 m -90.34 108.35 19.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.030000000000001 111.065 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' OE1' HG12 ' A' ' 54' ' ' VAL . 3.2 mp0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 71.329999999999998 110.954 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mtm . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.91 0.386 . . . . 73.519999999999996 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.4 m -92.02 138.85 31.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 52.420000000000002 111.131 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -113.4 157.38 21.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 72.310000000000002 110.857 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HG3' HG22 ' A' ' 17' ' ' THR . 8.3 tttt -131.97 141.43 49.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 70.049999999999997 110.837 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 6' ' ' ILE . 2.7 tt -113.08 139.08 49.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 110.928 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.649 ' N ' HD23 ' A' ' 5' ' ' LEU . 20.6 mm -120.29 104.56 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 64.219999999999999 111.118 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.746 HG21 HD13 ' A' ' 39' ' ' ILE . 40.7 mt -95.88 89.91 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 72.239999999999995 111.148 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -74.0 75.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.239999999999995 110.874 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.14 118.03 6.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 64.310000000000002 112.457 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.626 ' HD2' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -59.59 -27.3 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 74.109999999999999 110.93 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.626 HG23 ' HD2' ' A' ' 10' ' ' LYS . 1.1 p -86.41 -45.14 11.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 73.099999999999994 111.125 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.35 112.72 3.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 72.219999999999999 110.939 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -84.76 153.83 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 71.209999999999994 110.931 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.7 163.02 36.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.668 -0.777 . . . . 64.409999999999997 112.47 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.54 ' HG2' HD13 ' A' ' 6' ' ' ILE . 80.4 mt-10 -144.52 167.67 21.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.994 0.426 . . . . 73.450000000000003 110.865 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.425 HG22 ' HB3' ' A' ' 5' ' ' LEU . 9.8 t -158.81 167.22 30.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 65.299999999999997 111.114 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.412 HG22 ' HG3' ' A' ' 4' ' ' LYS . 71.3 p -143.3 160.34 40.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 54.32 111.143 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.7 t -164.13 140.84 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 64.430000000000007 111.161 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -78.5 127.23 31.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 73.5 110.864 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.598 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -147.62 175.26 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 111.132 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 m -109.99 -27.91 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 53.140000000000001 111.096 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -134.35 169.35 17.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 64.450000000000003 110.835 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.07 -35.14 79.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 61.020000000000003 111.078 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.48 -27.48 56.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 61.030000000000001 111.152 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.598 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 49.9 m -65.15 -49.83 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 71.030000000000001 111.087 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -75.18 -36.79 61.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 75.329999999999998 111.096 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.04 -35.29 46.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 75.420000000000002 110.911 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -36.19 67.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 54.210000000000001 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -88.02 -48.89 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.140000000000001 111.051 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.593 HD23 ' HG ' ' A' ' 5' ' ' LEU . 4.4 mp -53.71 -41.29 66.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 71.109999999999999 110.804 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -68.52 -28.4 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.409 . . . . 65.219999999999999 110.899 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -81.48 -30.85 33.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 72.230000000000004 110.924 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -63.77 -45.06 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 71.219999999999999 110.914 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.652 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -77.69 -47.69 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 65.099999999999994 111.096 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -56.59 -42.33 78.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 43.030000000000001 110.879 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -53.64 -33.16 54.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.137 -0.483 . . . . 53.140000000000001 110.914 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.07 -18.21 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 110.942 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.96 31.12 7.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.792 -0.718 . . . . 51.420000000000002 112.486 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.746 HD13 HG21 ' A' ' 7' ' ' ILE . 65.6 mt -87.08 132.32 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.327 . . . . 75.239999999999995 111.133 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -151.35 129.7 12.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 75.150000000000006 110.882 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.34 -149.94 8.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 54.420000000000002 112.438 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -80.1 93.81 5.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.906 0.384 . . . . 65.430000000000007 110.993 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -79.38 125.75 29.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 73.030000000000001 110.898 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -128.39 130.45 47.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 65.030000000000001 111.141 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -120.7 138.24 54.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 75.430000000000007 110.948 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.06 134.69 54.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 72.219999999999999 110.866 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -90.11 -25.84 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 74.150000000000006 110.785 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.58 -53.56 8.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 53.32 111.131 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.8 p -85.72 -16.16 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 74.109999999999999 111.162 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt 58.31 45.36 17.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 63.340000000000003 110.88 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -134.48 143.83 47.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 61.109999999999999 111.182 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -101.97 152.57 20.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.912 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.508 HG23 ' CG2' ' A' ' 6' ' ' ILE . 95.7 m -156.96 109.05 2.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 71.549999999999997 111.156 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 54' ' ' VAL . 6.7 p -99.52 123.04 52.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 74.400000000000006 111.111 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -91.27 109.41 20.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 111.1 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.495 ' CD ' HG23 ' A' ' 39' ' ' ILE . 11.5 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 71.329999999999998 110.893 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.936 0.398 . . . . 73.519999999999996 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 m -81.08 120.52 24.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 52.420000000000002 111.112 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -114.01 150.45 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 72.310000000000002 110.853 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -121.67 146.3 47.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 70.049999999999997 110.959 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 6' ' ' ILE . 2.2 tt -116.36 130.23 56.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 72.329999999999998 110.932 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.577 ' N ' HD23 ' A' ' 5' ' ' LEU . 20.6 mm -113.32 104.26 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 64.219999999999999 111.17 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.712 HG21 HD13 ' A' ' 39' ' ' ILE . 45.5 mt -94.96 89.94 2.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 72.239999999999995 111.153 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -73.82 75.92 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 72.239999999999995 110.886 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.78 116.53 5.33 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.83 -0.7 . . . . 64.310000000000002 112.554 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -25.94 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.349 . . . . 74.109999999999999 110.866 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -111.92 -32.61 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 73.099999999999994 111.071 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 tp -133.02 94.38 3.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 72.219999999999999 110.97 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -102.98 154.75 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 71.209999999999994 110.943 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.33 177.45 41.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 64.409999999999997 112.499 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -145.83 162.19 38.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.967 0.413 . . . . 73.450000000000003 110.817 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 t -158.28 156.97 31.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 65.299999999999997 111.156 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 p -136.38 155.1 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 54.32 111.213 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -155.63 121.76 5.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 111.126 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.59 116.24 12.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 73.5 110.893 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.71 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -131.58 175.0 9.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.529 . . . . 74.439999999999998 111.065 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.4 m -89.97 -30.6 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 53.140000000000001 111.109 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -141.15 174.12 10.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 64.450000000000003 110.784 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.77 -26.22 66.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 61.020000000000003 111.099 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.46 -28.49 31.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.412 . . . . 61.030000000000001 111.048 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.71 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 23.6 m -69.71 -41.94 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 71.030000000000001 111.162 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -76.5 -39.68 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 75.329999999999998 111.052 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -52.06 -38.25 56.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 75.420000000000002 110.881 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -52.96 -41.42 64.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 54.210000000000001 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.78 -39.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 74.140000000000001 111.089 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.464 HD22 ' HB2' ' A' ' 5' ' ' LEU . 91.7 mt -56.3 -46.37 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 71.109999999999999 110.974 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -64.67 -32.48 74.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 65.219999999999999 110.866 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -73.74 -30.14 62.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 72.230000000000004 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -67.01 -46.82 73.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 71.219999999999999 110.923 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' HA ' HD12 ' A' ' 39' ' ' ILE . . . -70.05 -52.87 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 65.099999999999994 111.092 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -53.72 -37.24 63.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 43.030000000000001 110.872 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.63 -26.3 63.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 53.140000000000001 110.787 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -98.31 22.0 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 110.895 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.99 20.32 53.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 51.420000000000002 112.469 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.712 HD13 HG21 ' A' ' 7' ' ' ILE . 78.8 mt -78.17 131.95 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 75.239999999999995 111.17 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -143.14 127.05 17.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 75.150000000000006 110.816 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.57 -158.0 20.3 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.734 -0.745 . . . . 54.420000000000002 112.49 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -90.31 126.66 35.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 65.430000000000007 110.927 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.477 ' CD2' HG22 ' A' ' 54' ' ' VAL . 39.6 m95 -96.11 129.23 43.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.128 -0.487 . . . . 73.030000000000001 110.845 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.9 p -122.81 131.03 53.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 65.030000000000001 111.171 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -117.51 134.55 54.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.918 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -116.12 129.83 56.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 72.219999999999999 110.921 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.11 -24.24 21.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.821 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.73 -29.3 62.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 53.32 111.079 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 p -116.06 -13.09 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 74.109999999999999 111.169 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt 58.35 44.45 18.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 63.340000000000003 110.936 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.8 m -137.05 149.49 47.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 61.109999999999999 111.233 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -105.95 153.35 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 74.439999999999998 110.836 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.8 m -146.38 109.02 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.549999999999997 111.193 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.477 HG22 ' CD2' ' A' ' 43' ' ' TRP . 21.8 t -93.06 107.79 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 111.139 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.5 m -88.74 103.73 16.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 74.030000000000001 111.205 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' OE2' HG12 ' A' ' 54' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.329999999999998 110.823 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.916 0.389 . . . . 73.519999999999996 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -80.15 133.53 36.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 52.420000000000002 111.155 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -117.05 156.87 26.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 72.310000000000002 110.862 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -123.09 146.76 47.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 70.049999999999997 110.919 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.571 HD23 ' CG2' ' A' ' 16' ' ' THR . 26.2 tp -116.08 136.08 53.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.329999999999998 110.933 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.635 ' CG2' HG23 ' A' ' 53' ' ' THR . 20.5 mm -121.33 105.75 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 64.219999999999999 111.122 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mt -96.16 89.93 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 72.239999999999995 111.146 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -74.87 74.97 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.07 131.46 10.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 64.310000000000002 112.546 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -56.68 -24.9 52.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.818 0.342 . . . . 74.109999999999999 110.841 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -126.22 -37.23 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 111.161 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.34 96.78 6.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.219999999999999 110.912 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.96 139.26 49.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 71.209999999999994 110.915 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.28 -156.8 14.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 64.409999999999997 112.497 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -169.57 156.03 6.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.881 0.372 . . . . 73.450000000000003 110.858 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.571 ' CG2' HD23 ' A' ' 5' ' ' LEU . 3.0 t -155.78 150.74 26.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 65.299999999999997 111.083 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.8 p -120.59 157.7 28.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 54.32 111.143 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -155.54 127.94 7.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 64.430000000000007 111.123 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -71.44 124.14 23.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 73.5 110.885 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -142.79 -178.9 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 111.056 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.0 m -109.2 -28.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 53.140000000000001 111.058 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -139.06 170.47 15.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.252 -0.431 . . . . 64.450000000000003 110.886 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.53 -33.82 75.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 61.020000000000003 111.109 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.7 -26.47 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 61.030000000000001 111.057 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.723 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 23.7 m -68.93 -47.13 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 71.030000000000001 111.146 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -73.47 -44.45 57.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.329999999999998 111.047 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -53.84 -33.24 55.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 75.420000000000002 110.96 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -58.24 -40.84 82.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 54.210000000000001 110.927 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.28 -44.26 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 111.159 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' A' ' 5' ' ' LEU . 75.1 mt -56.66 -47.42 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 71.109999999999999 110.899 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -63.21 -30.27 71.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 65.219999999999999 110.899 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -74.9 -31.47 61.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.915 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -67.93 -41.6 82.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 71.219999999999999 110.913 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -75.28 -44.87 43.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 65.099999999999994 111.08 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -55.02 -41.7 71.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 43.030000000000001 110.824 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.61 -27.93 52.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 53.140000000000001 110.912 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -90.52 -18.16 25.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 73.230000000000004 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.96 30.73 6.95 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 51.420000000000002 112.499 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.482 ' HB ' ' HB1' ' A' ' 34' ' ' ALA . 56.4 mt -89.62 133.36 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 75.239999999999995 111.178 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -157.31 128.45 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.150000000000006 110.868 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -177.83 -137.07 2.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 54.420000000000002 112.464 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -90.63 96.0 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 65.430000000000007 110.952 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -84.03 116.4 22.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 73.030000000000001 110.962 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 p -110.53 174.3 5.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 65.030000000000001 111.194 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -158.18 144.42 17.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 75.430000000000007 110.909 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.36 131.98 56.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.058 -0.519 . . . . 72.219999999999999 110.869 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -90.09 -25.42 20.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 74.150000000000006 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.02 -43.01 16.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 53.32 111.103 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.3 p -92.07 -17.9 24.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.109999999999999 111.128 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 58.35 41.56 22.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 63.340000000000003 110.923 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.9 m -128.33 144.33 51.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.414 . . . . 61.109999999999999 111.11 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -103.42 145.08 30.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 110.817 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.635 HG23 ' CG2' ' A' ' 6' ' ' ILE . 25.8 m -148.33 127.61 13.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 71.549999999999997 111.155 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.56 124.57 72.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 74.400000000000006 111.151 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.7 m -98.04 111.77 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.030000000000001 111.114 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 71.329999999999998 110.894 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.899 0.38 . . . . 73.519999999999996 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m -102.87 144.89 30.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 52.420000000000002 111.09 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -128.55 157.66 40.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 110.876 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -129.95 144.49 51.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 70.049999999999997 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.625 HD23 ' N ' ' A' ' 6' ' ' ILE . 3.0 tt -115.14 131.03 57.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 72.329999999999998 110.941 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.64 ' CG2' HG23 ' A' ' 53' ' ' THR . 20.3 mm -112.4 104.4 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 64.219999999999999 111.138 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.809 HG23 HG21 ' A' ' 39' ' ' ILE . 52.7 mt -94.13 90.01 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 72.239999999999995 111.179 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -74.3 75.69 1.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 72.239999999999995 110.917 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.03 131.3 10.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 64.310000000000002 112.453 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.05 -26.07 60.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 74.109999999999999 110.946 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 t -104.49 -26.58 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 73.099999999999994 111.107 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tt -153.55 113.34 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 72.219999999999999 110.871 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -109.53 153.7 23.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 71.209999999999994 110.883 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.59 -173.2 39.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 64.409999999999997 112.439 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -154.75 162.37 41.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.944 0.402 . . . . 73.450000000000003 110.911 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 5' ' ' LEU . 10.2 t -157.34 165.46 35.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 65.299999999999997 111.15 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 p -143.07 160.15 40.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 54.32 111.129 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.549 HG22 HD21 ' A' ' 30' ' ' LEU . 2.2 t -166.13 125.55 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 64.430000000000007 111.185 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -70.28 129.08 38.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.827 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.588 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -144.78 170.79 15.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 111.17 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.7 m -91.02 -31.13 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 53.140000000000001 111.122 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -141.83 162.17 36.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.434 . . . . 64.450000000000003 110.946 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.25 68.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.259 -0.428 . . . . 61.020000000000003 111.052 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.94 -28.18 63.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 61.030000000000001 111.189 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.588 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 59.7 m -69.65 -45.94 67.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 71.030000000000001 111.151 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -77.99 -41.78 34.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.127 -0.488 . . . . 75.329999999999998 111.151 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -52.07 -30.64 26.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.420000000000002 110.851 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -62.93 -45.43 92.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 54.210000000000001 110.967 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.9 t -80.41 -33.8 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 74.140000000000001 111.17 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.562 HD22 ' HB2' ' A' ' 5' ' ' LEU . 92.2 mt -64.69 -55.89 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 71.109999999999999 110.896 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -53.44 -31.08 43.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 65.219999999999999 110.92 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -74.63 -38.99 62.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 72.230000000000004 110.938 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.11 -52.57 50.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 71.219999999999999 110.908 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.89 80.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 65.099999999999994 111.123 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -51.91 -54.09 33.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 43.030000000000001 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -55.82 -35.85 66.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 53.140000000000001 110.87 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.423 HD22 ' N ' ' A' ' 37' ' ' ASN . 1.5 m-80 -75.72 -17.59 59.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 73.230000000000004 110.89 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.49 24.63 9.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.742 . . . . 51.420000000000002 112.47 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.809 HG21 HG23 ' A' ' 7' ' ' ILE . 5.2 mp -118.36 116.51 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 75.239999999999995 111.12 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.59 124.92 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 75.150000000000006 110.84 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.76 -128.05 0.99 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.781 -0.723 . . . . 54.420000000000002 112.527 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -71.48 92.82 1.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.796 0.331 . . . . 65.430000000000007 110.862 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.431 ' HH2' HD11 ' A' ' 5' ' ' LEU . 30.3 m95 -87.74 126.52 35.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.030000000000001 110.962 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.1 p -128.42 131.67 48.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 65.030000000000001 111.198 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -118.41 145.87 44.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.411 . . . . 75.430000000000007 110.899 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.29 132.37 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 72.219999999999999 110.814 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -90.12 -25.45 20.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.150000000000006 110.87 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.66 -39.86 21.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 53.32 111.053 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.7 p -95.77 -17.35 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 74.109999999999999 111.157 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 58.32 41.4 23.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 63.340000000000003 110.961 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -133.42 142.29 48.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.182 -0.463 . . . . 61.109999999999999 111.089 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -98.53 153.38 18.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 74.439999999999998 110.843 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.64 HG23 ' CG2' ' A' ' 6' ' ' ILE . 34.5 m -154.91 109.02 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.549999999999997 111.125 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 p -98.72 131.18 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.145 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -105.95 114.26 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 74.030000000000001 111.132 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' CD ' HG23 ' A' ' 39' ' ' ILE . 5.6 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 71.329999999999998 110.83 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 mtm . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.895 0.379 . . . . 73.519999999999996 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 m -78.05 133.19 37.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 52.420000000000002 111.185 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -127.66 151.69 48.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.310000000000002 110.928 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -118.93 144.82 46.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 70.049999999999997 110.863 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.587 HD23 ' CG2' ' A' ' 16' ' ' THR . 42.5 tp -112.96 135.65 53.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.329999999999998 110.942 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 mm -122.28 109.37 24.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 64.219999999999999 111.149 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.604 ' CG2' HG21 ' A' ' 39' ' ' ILE . 57.0 mt -102.28 89.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 72.239999999999995 111.148 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -71.44 81.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.239999999999995 110.87 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.63 127.69 8.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.897 -0.668 . . . . 64.310000000000002 112.466 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.88 -26.73 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 74.109999999999999 110.912 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.4 t -102.33 -26.6 13.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 73.099999999999994 111.245 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.36 112.82 3.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 110.95 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -108.58 155.23 20.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 71.209999999999994 110.867 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.58 -171.32 40.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 64.409999999999997 112.529 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -165.53 159.3 16.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.986 0.422 . . . . 73.450000000000003 110.796 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.587 ' CG2' HD23 ' A' ' 5' ' ' LEU . 3.7 t -157.17 157.59 34.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.1 -0.5 . . . . 65.299999999999997 111.07 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.4 p -131.03 145.85 52.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 54.32 111.119 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.545 HG23 ' HB1' ' A' ' 26' ' ' ALA . 4.7 t -145.16 119.5 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 64.430000000000007 111.157 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -74.08 108.01 6.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.743 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -125.3 174.71 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 111.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 m -85.44 -25.67 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 53.140000000000001 111.138 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -149.87 162.53 40.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 64.450000000000003 110.839 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.65 -37.5 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 61.020000000000003 111.071 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.14 -36.27 74.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 61.030000000000001 111.127 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.559 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 21.4 m -68.8 -37.0 78.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 71.030000000000001 111.198 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.743 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -80.62 -45.16 17.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 111.138 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.33 -33.61 54.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 75.420000000000002 110.92 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -51.94 -36.59 49.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 54.210000000000001 110.96 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.13 -33.85 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.140000000000001 111.151 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 5' ' ' LEU . 61.5 mt -60.33 -51.97 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 71.109999999999999 110.971 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -54.52 -32.13 57.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 65.219999999999999 110.951 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -74.97 -36.36 62.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.230000000000004 110.931 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.466 ' CG ' HG21 ' A' ' 16' ' ' THR . 24.4 t80 -56.23 -50.26 71.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 71.219999999999999 110.949 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.88 37.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 65.099999999999994 111.033 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -51.94 -51.69 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 43.030000000000001 110.893 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -55.61 -30.06 60.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 53.140000000000001 110.983 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 37' ' ' ASN . 1.5 m-80 -86.88 -17.78 32.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.001 -0.545 . . . . 73.230000000000004 110.875 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.28 27.11 8.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.854 -0.689 . . . . 51.420000000000002 112.555 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.604 HG21 ' CG2' ' A' ' 7' ' ' ILE . 3.6 mp -118.33 122.5 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.337 . . . . 75.239999999999995 111.153 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -157.41 127.26 6.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 75.150000000000006 110.904 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -168.34 -132.6 1.44 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.733 -0.746 . . . . 54.420000000000002 112.52 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.1 103.01 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 65.430000000000007 110.934 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -90.42 117.37 29.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 73.030000000000001 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.76 162.59 16.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 65.030000000000001 111.124 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -150.71 136.73 18.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 75.430000000000007 110.934 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -115.34 136.06 53.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 72.219999999999999 110.93 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -90.18 -25.63 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 74.150000000000006 110.809 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.97 -54.46 6.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 53.32 111.058 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -84.74 -16.37 41.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 74.109999999999999 111.074 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm 58.38 43.22 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 63.340000000000003 110.962 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.4 m -131.11 144.38 51.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 61.109999999999999 111.151 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -104.82 134.9 47.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 74.439999999999998 110.863 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.6 m -130.74 127.56 39.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 71.549999999999997 111.081 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.87 110.07 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.400000000000006 111.125 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 m -89.55 104.93 17.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.030000000000001 111.16 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.536 ' CD ' HG23 ' A' ' 39' ' ' ILE . 3.8 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 71.329999999999998 110.857 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.904 0.383 . . . . 73.519999999999996 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.1 125.91 26.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 52.420000000000002 111.074 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -104.09 168.55 9.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 72.310000000000002 110.803 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' HA ' HG22 ' A' ' 17' ' ' THR . 19.1 tttt -130.82 149.68 52.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.073 -0.512 . . . . 70.049999999999997 110.938 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.743 HD22 ' HB3' ' A' ' 30' ' ' LEU . 58.7 tp -124.52 144.28 50.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.405 . . . . 72.329999999999998 110.947 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.54 ' CG2' HG23 ' A' ' 53' ' ' THR . 19.5 mm -126.99 109.42 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 64.219999999999999 111.124 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.822 HG21 HD13 ' A' ' 39' ' ' ILE . 61.8 mt -100.99 89.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 72.239999999999995 111.08 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -73.33 77.24 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 72.239999999999995 110.846 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.21 125.32 6.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 64.310000000000002 112.475 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -25.89 68.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 74.109999999999999 110.863 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.2 t -112.73 -33.29 6.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 73.099999999999994 111.206 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tt -154.44 111.83 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 72.219999999999999 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -85.1 166.07 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 71.209999999999994 110.809 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.1 -166.44 12.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 64.409999999999997 112.505 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -179.38 158.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 73.450000000000003 110.809 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.592 ' CG2' HD23 ' A' ' 5' ' ' LEU . 1.8 t -174.87 148.3 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 65.299999999999997 111.13 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.507 HG22 ' HA ' ' A' ' 4' ' ' LYS . 39.5 p -126.01 137.88 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 54.32 111.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.423 HG22 HD21 ' A' ' 30' ' ' LEU . 9.7 t -152.22 127.38 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 64.430000000000007 111.175 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -70.05 142.82 52.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 73.5 110.932 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.764 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -155.91 174.19 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.439999999999998 111.097 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 m -99.31 -25.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 53.140000000000001 111.135 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -137.66 167.0 22.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 64.450000000000003 110.813 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.45 74.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 61.020000000000003 111.086 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.66 -33.56 41.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 61.030000000000001 111.059 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.764 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 19.9 m -54.68 -49.31 70.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 71.030000000000001 111.12 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -75.45 -41.79 54.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.329999999999998 111.007 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -53.39 -28.61 30.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 75.420000000000002 110.911 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -57.88 -44.35 86.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 54.210000000000001 110.908 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.61 -34.36 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 111.082 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.743 ' HB3' HD22 ' A' ' 5' ' ' LEU . 95.3 mt -63.13 -48.66 77.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.109999999999999 110.917 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.09 -32.55 71.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 65.219999999999999 110.835 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -70.08 -37.25 75.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 110.981 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -62.4 -41.85 98.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 71.219999999999999 110.911 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HA ' HD12 ' A' ' 39' ' ' ILE . . . -79.0 -44.62 21.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 65.099999999999994 111.035 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -55.99 -40.76 73.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 43.030000000000001 110.829 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -56.81 -26.37 57.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 53.140000000000001 110.873 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -100.3 21.97 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.35 36.86 90.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 51.420000000000002 112.451 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.822 HD13 HG21 ' A' ' 7' ' ' ILE . 71.2 mt -98.39 129.71 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 75.239999999999995 111.091 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -157.63 131.98 8.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 75.150000000000006 110.854 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -174.12 -152.74 9.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.819 -0.705 . . . . 54.420000000000002 112.576 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -78.7 92.01 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 65.430000000000007 110.916 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -78.63 131.56 36.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 73.030000000000001 110.898 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.0 p -133.81 174.48 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.030000000000001 111.251 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -158.57 157.54 32.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.271 -0.422 . . . . 75.430000000000007 110.843 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -127.09 139.04 53.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 72.219999999999999 110.78 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -90.13 -25.2 20.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 74.150000000000006 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.64 -48.64 14.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 53.32 111.048 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.6 p -89.04 -17.05 30.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 74.109999999999999 111.168 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp 58.36 42.48 21.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 63.340000000000003 110.92 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.4 m -131.36 144.26 51.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 61.109999999999999 111.25 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -103.78 145.14 30.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 74.439999999999998 110.883 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.54 HG23 ' CG2' ' A' ' 6' ' ' ILE . 95.1 m -148.4 131.37 16.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.549999999999997 111.072 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -120.83 134.61 63.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 111.142 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -102.93 103.86 14.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.030000000000001 111.118 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 71.329999999999998 110.85 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 mtp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.844 0.354 . . . . 73.519999999999996 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 m -96.42 129.5 43.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 52.420000000000002 111.096 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.9 157.02 23.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 72.310000000000002 110.886 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -121.53 149.29 43.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 70.049999999999997 110.906 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.671 HD23 HG22 ' A' ' 16' ' ' THR . 44.1 tp -117.85 139.16 51.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 72.329999999999998 110.91 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.7 mm -126.93 109.44 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 64.219999999999999 111.038 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.722 ' CG2' HG21 ' A' ' 39' ' ' ILE . 79.3 mt -102.43 89.92 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 111.15 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -71.32 84.97 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 110.845 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.49 125.04 8.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 64.310000000000002 112.374 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -25.76 68.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 74.109999999999999 110.848 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -109.22 -33.06 6.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 73.099999999999994 111.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 tp -154.23 113.19 3.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.318 -0.401 . . . . 72.219999999999999 110.986 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -80.69 159.69 25.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.209999999999994 110.9 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.96 174.17 30.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 64.409999999999997 112.482 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -176.69 157.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 73.450000000000003 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.671 HG22 HD23 ' A' ' 5' ' ' LEU . 14.8 t -171.36 163.67 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 65.299999999999997 111.156 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.2 p -128.29 158.26 38.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 54.32 111.152 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.469 HG22 HD21 ' A' ' 30' ' ' LEU . 5.2 t -161.06 135.43 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 64.430000000000007 111.148 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.69 127.13 32.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.93 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.664 ' HB1' ' HB ' ' A' ' 25' ' ' THR . . . -144.65 175.48 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 111.035 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.12 -33.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 53.140000000000001 111.086 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -137.43 173.8 11.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.252 -0.431 . . . . 64.450000000000003 110.924 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.54 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 61.020000000000003 111.051 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.35 -36.78 45.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 61.030000000000001 111.077 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.664 ' HB ' ' HB1' ' A' ' 20' ' ' ALA . 26.2 m -57.79 -49.52 76.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 71.030000000000001 111.149 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -69.89 -39.59 76.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 75.329999999999998 111.112 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -52.05 -36.74 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.99 0.424 . . . . 75.420000000000002 110.931 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -57.55 -32.46 67.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 54.210000000000001 110.886 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.1 t -87.8 -40.02 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 111.176 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.473 HD22 ' HB2' ' A' ' 5' ' ' LEU . 59.6 mt -62.75 -52.31 63.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.126 -0.488 . . . . 71.109999999999999 110.888 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -52.52 -29.46 25.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 65.219999999999999 110.927 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -80.19 -37.74 32.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 72.230000000000004 110.958 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -57.63 -50.33 73.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 71.219999999999999 110.856 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.36 -52.33 54.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 65.099999999999994 111.047 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -51.87 -50.44 60.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 43.030000000000001 110.883 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -56.37 -29.33 61.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 53.140000000000001 110.874 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -85.95 -16.82 37.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 73.230000000000004 110.867 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.41 25.41 9.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 51.420000000000002 112.435 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.722 HG21 ' CG2' ' A' ' 7' ' ' ILE . 5.1 mp -118.31 121.86 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 75.239999999999995 111.155 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -157.61 127.45 6.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 75.150000000000006 110.858 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.48 -135.01 1.79 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.687 -0.768 . . . . 54.420000000000002 112.461 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -73.81 106.98 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 65.430000000000007 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CD2' HG22 ' A' ' 54' ' ' VAL . 35.9 m95 -92.26 128.29 38.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.030000000000001 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.6 p -130.54 137.6 49.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.225 -0.443 . . . . 65.030000000000001 111.078 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -121.22 139.81 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.892 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -112.91 130.58 56.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 72.219999999999999 110.881 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -90.16 -25.49 20.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.856 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.07 -39.08 23.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 53.32 111.048 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.6 p -97.08 -16.97 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.109999999999999 111.059 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp 58.31 42.97 20.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 63.340000000000003 110.895 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -135.43 144.28 46.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 61.109999999999999 111.16 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -104.68 136.27 44.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 74.439999999999998 110.904 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.2 m -130.39 129.81 43.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 71.549999999999997 111.178 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.404 HG22 ' CD2' ' A' ' 43' ' ' TRP . 21.9 t -113.53 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 74.400000000000006 111.136 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 m -88.36 103.95 16.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 74.030000000000001 111.143 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.709 ' HG3' HG23 ' A' ' 39' ' ' ILE . 1.6 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.329999999999998 110.913 179.996 . . . . . . . . 1 1 . 1 stop_ save_